Peter Willett
PERSONAL DETAILS
Date of birth: 20th April 1953
Current appointment: Professor of Information Science (1991 to date), Information School,
University of Sheffield
Academic qualifications
 DSc in Information Studies, University of Sheffield (1997)
 PhD Computer Analysis of Chemical Reaction Information for Storage and Retrieval in
Information Studies, University of Sheffield (1979)
 MSc in Information Studies, University of Sheffield (1976)
 MA in Natural Sciences (Chemistry), University of Oxford (1975)
Professional qualifications
 Fellow (2000) of the International Union of Pure and Applied Chemistry
 Member (1979) and Fellow (1989) of the Institute of Information Scientists
PROFESSIONAL ACTIVITIES
Awards

Recipient (in 2010) of the Patterson-Crane Award of the Dayton and Columbus
Chapter of the American Chemical Society, which is made for contributions to chemical
information

Recipient (in 2009) of the Emerald Outstanding Paper Award for the paper “A
bibliometric analysis of the literature of chemoinformatics” published in Aslib
Proceedings

Recipient (in 2005) of the annual Award for Computers in Chemical and
Pharmaceutical Research of the American Chemical Society, which is made for
contributions to the development of chemical computing

Recipient (in 2002) of the Lynch Award of the Chemical Structure Association Trust,
which is made every three years in recognition of significant contributions to the
development of chemical structure handling.

Recipient (in 2001) of the annual Tony Kent Strix Award of the Institute of Information
Scientists, which is made in recognition of outstanding practical innovation or
achievement in the field of information retrieval.

Recipient (in 1997) of the annual Distinguished Lecturer Award of the New Jersey
Chapter of the American Society for Information Science, which is made for work of
international importance in the field of information science.

Recipient (in 1993) of the Skolnik award of the Division of Chemical Information of the
American Chemical Society, which is made for work of international importance in the
field of chemical information science.
Other Marks of Recognition

Included in: Who’s Who in Science and Engineering since 1995; Who’s Who since
2004; and Who’s Who in the World since 2008

Elected as the 82nd member of the International Academy of Mathematical Chemistry
(2011)

Consultant for many life sciences firms, both national and international, on topics
relating to chemical information systems.

Much of the research work of my group has subsequently been taken up and
implemented in operational retrieval systems of various kinds that are used by
(principally) pharmaceutical companies throughout the world. Some of the software
has been distributed on a commercial basis by Tripos Inc. (the PROTEP, GASP and
GALAHAD programs) and by the Cambridge Crystallographic Data Centre (the GOLD
program). Software royalties to the University of Sheffield for these programs currently
exceed £870K.
Major Committee Membership (Recent)

Member of Sub-Panel 36 (Communication, Cultural and Media Studies, Library and
Information Management) for REF2014

Member of AHRC Peer Review College (2009-2013)

Member of the Research Information Network Consultative Group for the Physical
Sciences, Technology and Engineering (2009 to date)

Trustee of LHASA Ltd. (2008 to date).

Chair of Panel 6 of the Arts and Humanities Research Council (2006-2008)

Member of the Research Committee of the Arts and Humanities Research Council
(2006-2008).

Deputy Chair of Sub-panel 37 (Library and Information Management) for RAE 2008
(2005-2008).

Trustee of the Chemical Structure Association Trust (2001 to date)

Committee member (1998-2000 and 2003-05) and Chair (2001-2003) of the Board of
Governors of the Cambridge Crystallographic Data Centre.

President (1998-2002) of the Chemical Structure Association.
Editorial Boards (Current)

Journal of Cheminformatics (2008 to date)

Associate Editor of Computational Molecular Science (2008 to date)

Journal of Computer-Aided Molecular Design (2000 to date)

Journal of Molecular Graphics and Modelling (1998 to date)
Refereeing and External Examining

Refereeing of articles for 76 different journals:

Refereeing of grant proposals for 20 national and international funding agencies:

Acting as external examiner for the MSc ChemInformatics programme at UMIST
(2001-2005) and a member of external departmental review panels at the University of
Strathclyde (2005-06) and the University of Hamburg (2007-08)

External examiner for MSc, PhD and DSc theses for 25 universities

Advisor for promotion or chair committees for 24 universities (
RESEARCH
Research Interests
Current principal interests involve:
 The use of cluster analysis, genetic algorithms, graph theory, machine learning and
similarity methods in chemoinformatics
 The use of citation data for the quantitative evaluation of academic research
performance.
Previous interests have involved:
 Design of combinatorial libraries
 The correlation of DNA sequences and DNA structures
 Applications of graph theory and similarity techniques in structural biology
 Applications of information retrieval in humanities computing
 3D pharmacophore searching
 The use of clustering and morphological analysis methods for text databases
 Database applications of parallel processors
 Identification and conflation of word variants in text databases.
 The automatic indexing of chemical reaction databases
Research Management
 Awarded 88 research grants and contracts to a total value of £5.8 million. These
grants have come from 35 different funding agencies in Belgium, France, Holland,

Italy, Switzerland and the USA, as well as the UK, and have involved research
councils, other public sector and charity organisations, and national and international
companies
Supervised 67 research theses (65 PhD, 2 MSc), and am currently supervising a
further 3 PhD theses.
PUBLICATIONS
Books
1.
Martin. Y.C. & Willett, P. (Editors). Designing Bioactive Molecules: Three-Dimensional
Techniques and Applications. Washington: American Chemical Society, 1998, 276
pages.
2.
Belkin, P., Willett, P. & Desai, N. (Editors) SIGIR ’97. Proceedings of the Twentieth
Annual International Conference on Research and Development in Information
Retrieval. New York: Association for Computing Machinery, 1997. 348 pages.
3.
Sparck Jones, K. & Willett, P. (Editors) Readings in Information Retrieval. San
Francisco: Morgan Kaufmann, 1997, 589 pages. (***)
4.
Korfhage, R., Rasmussen, E.M. & Willett, P. (Editors) SIGIR ’93. Proceedings of the
Sixteenth Annual International Conference on Research and Development in
Information Retrieval. New York: Association for Computing Machinery, 1993. 361
pages.
5.
Ash, J.E., Warr, W.A. & Willett, P. (Editors) Chemical Structure Systems. Chichester:
Ellis Horwood, 1991. 351 pages.
6.
Warr, W.A., Willett, P. & Downs, G.M. (Editors) Directory of Chemistry Software.
Oxford: Cherwell Scientific Publishing and the American Chemical Society, 1991. 204
pages.
7.
Willett, P. Three-Dimensional Chemical Structure Handling. Taunton: Research
Studies Press, 1991. 255 pages.
8.
Willett, P. & Rasmussen, E.M. Parallel Database Processing. Text Retrieval and
Cluster Analysis using the Distributed Array Processor. London: Pitman, 1990. 173
pages.
9.
Bain, M., Bland, R., Burnard, L., Duke, J., Edwards, C., Lindsey, D., Rossitter, N. &
Willett, P. Free Text Retrieval Systems: a Review and Evaluation. London: Taylor
Graham, 1989. 120 pages.
10.
Willett, P. (Editor) Document Retrieval Systems. London: Taylor Graham, 1988. 292
pages.
11.
Ashford, J. & Willett, P. Text Retrieval and Document Databases. Lund, Sweden:
Chartwell-Bratt, 1988. 120 pages.
12.
Willett, P. Similarity and Clustering in Chemical Information Systems. Letchworth:
Research Studies Press, 1987. 254 pages.
13.
Willett, P. (Editor) Modern Approaches to Chemical Reaction Searching. Aldershot:
Gower, 1986. 266 pages.
14.
Ash, J.E., Chubb, P.A., Ward, S.E., Welford, S.M., & Willett, P. Communication,
Storage and Retrieval of Chemical Information. Chichester: Ellis Horwood, 1985. 297
pages.
Book Chapters
1.
Holliday, J.D. & Willett, P. “Representation and searching of chemical-structure
information in patents.” In: Lupu, M., Mayer, K., Tait, J.I. & Trippe, A.J. (editors),
Current Challenges in Patent Information Retrieval, pp. 343-356. Berlin: Springer
Verlag, 2011.
2.
Whittle, M., Gillet, V.J. & Willett, P. “A simulation study of the use of similarity fusion
for ligand-based virtual screening”. In: Lodhi, H. & Yamanishi, Y. (editors).
Chemoinformatics and Advanced Machine Learning Perspectives: Complex
Computational Methods and Collaborative Techniques. pp. 46-59. Hershey PA, IGI
Global, 2010.
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Willett, P. “Information retrieval and chemoinformatics: is there a bibliometric link?” In:
Larsen, B., Schneider, J.W., Åström, F. & Schlemmer, B. (editors). The Janus Faced
Scholar - a Festschrift in Honour of Peter Ingwersen. pp. 107-115. Copenhagen,
Royal School of Library and Information Science, 2010 (also at http://www.issisociety.info/peteringwersen/pif_online.pdf)
Willett, P. “Chemoinformatics.” In: Bates, M.J. (editor). Encyclopedia of Library and
Information Sciences, 3rd edition. pp 920-929. London: Taylor & Francis, 2009.
Willett, P. “From chemical documentation to chemoinformatics: 50 years of chemical
information science”. In: Gilchrist, A. (editor) Information Science in Transition. pp
129-168. London: Facet Publishing, 2009.
Bath, P.A., Craigs, C., Maheswaran, R., Raymond, J. & Willett, P. “Pattern
identification in public health datasets: the potential offered by graph theory”. In: Wise,
S. & Craglia, M. (editors) GIS and Evidence-Based Policy Making. pp 159-176.
London: CRC Press, 2008.
Gillet, V.J. & Willett, P. “Compound selection using measures of similarity and
dissimilarity.” In: Triggle, D.J. & Taylor, J.B. (editors). Comprehensive Medicinal
Chemistry II. Vol. 4 pp. 167-192. Oxford: Elsevier, 2007.
Hert, J., Willett, P. & Wilton, D.J. “New methods for similarity-based virtual screening”.
In: Jacoby, E. (editor). Chemogenomics: Knowledge-Based Approaches to Drug
Discovery. pp. 133-156. London: Imperial College Press, 2006.
Gillet, V.J. & Willett, P. “Chemoinformatics techniques for processing chemical
structure databases.” In: Ekins, S. (editor). Computer Applications in Pharmaceutical
Research and Development. pp. 187-208. New York: Wiley-Interscience, 2006.
Willett, P. “The evaluation of retrieval effectiveness in chemical database searching.”
In: Tait, J.I. (editor). Charting a New Course: Natural Language Processing and
Information Retrieval. Essays in Honour of Karen Spärck Jones. pp. 239-254.
Dordrecht: Springer, 2005.
Willett, P. “A history of chemoinformatics.” In: Gasteiger, J. (editor). Handbook of
Chemoinformatics. pp. 6-20. Weinheim: Wiley-VCH, 2003.
Willett, P. “Similarity searching in chemical structure databases”. In: Gasteiger, J.
(editor). Handbook of Chemoinformatics. pp. 904-915. Weinheim: Wiley-VCH, 2003.
Willett, P. “The evaluation of molecular similarity and molecular diversity methods
using biological activity data.” In: Bajorath, J, (editor). Chemoinformatics: Concepts,
Methods, and Tools for Drug Discovery. pp. 51-63. Totowa NJ: Humana Press, 2003.
Also published in Methods in Molecular Biology, 275, 2004, 51-63.
Raymond, J.W. & Willett, P. “Calculation of 2D molecular similarity using a maximum
common edge subgraph isomorphism algorithm.” In: Ford, M., Livingstone, D.,
Dearden, J. & Van de Waterbeemd, H. (editors). EuroQSAR 2002. Designing Drugs
and Crop Protectants: Processes, Problems and Solutions. pp. 421-427. Oxford:
Blackwell Publishing, 2003.
Gillet, V.J. & Willett, P. “Computational methods for the analysis of molecular diversity”
In: van der Goot, H. (editor) Trends in Drug Research III. pp. 125-133. Oxford:
Elsevier, 2002.
Willett, P. “Similarity searching in chemical databases using molecular fields and data
fusion.” In: Carbo-Dorca, R. & Mezey, P. (editors) The Fundamentals of Molecular
Similarity. pp. 51-66. Amsterdam: Kluwer Academic/Plenum Publishers, 2001.
Gillet, V.J. & Willett, P. “Dissimilarity-based compound selection for library design.” In:
Ghose, A.K. & Viswanadhan, V.N. (Editors) Combinatorial Library Design and
Evaluation: Principles, Software Tools and Applications in Drug Discovery. pp. 379398. New York: Marcel Dekker, 2001.
Turner, D.B. & Willett, P. “EVA QSAR: development of models with enhanced
predictivity (EVA_GA).” In: Gundertofte, K. & Jørgensen, F.S. (editors) Molecular
Modelling and Prediction of Bioactivity.
pp. 331-2.
New York: Kluwer
Academic/Plenum Publishers, 2000.
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Jones, G., Willett, P. & Glen, R.C. “GASP: Genetic Algorithm Superimposition
Program.” In: Guner, O. (editor) Pharmacophore Perception, Development and Use in
Drug Design. pp. 85-106. La Jolla CA: International University Line, 2000.
Willett, P. “Chemical structure handling.”
In: Clark, D.E. (editor) Evolutionary
Algorithms in Computer-Aided Molecular Design. pp. 115-135. Weinheim: WileyVCH, 2000.
Barnard, J.M., Downs, G.M. & Willett, P. “Descriptor-based similarity measures for
screening chemical databases.” In: Bohm, H.-J. & Schneider, G. (editors) Virtual
Screening for Bioactive Molecules. pp. 59-80. Weinheim: Wiley-VCH, 2000.
Willett, P. “Matching of chemical and biological structures using subgraph and maximal
common subgraph isomorphism algorithms”. In: Truhlar, D.G., Howe, W.J., Hopfinger,
A.J., Blaney, J.D. & Dammkoehler, R. (editors) Rational Drug Design. pp. 11-38. New
York: Springer Verlag, 1999.
Willett, P. “Subset-selection methods for chemical databases”. In: Dean, P.M. &
Lewis, R.A. (editors) Molecular Diversity in Drug Design. pp. 115-140. Amsterdam:
Kluwer, 1999
Warr, W.A. & Willett, P. “The principles and practice of 3D database searching”. In:
Martin, Y.C. & Willett, P. (editors). Designing Bioactive Molecules: Three-Dimensional
Techniques and Applications. pp. 73-95. Washington: American Chemical Society,
1998.
Martin. Y.C. & Willett, P. (editors). “Summary and future developments”. In: Martin.
Y.C. & Willett, P. Designing Bioactive Molecules: Three-Dimensional Techniques and
Applications. pp. 253-260. Washington: American Chemical Society, 1998.
Thorner, D.A., Wild, D.J., Willett, P. & Wright, P.M. “Calculation of structural similarity
by the alignment of molecular electrostatic potentials”. In: Kubinyi, H., Folkers, G. &
Martin, Y.C. (editors) 3D QSAR in Drug Design. Volume 2. Ligand-Protein
Interactions and Molecular Similarity. pp. 301-320. Leiden: Kluwer/ESCOM, 1998.
Heritage, T.W., Ferguson, A.M., Turner, D.B. & Willett, P. “EVA - a novel theoretical
descriptor for QSAR studies”. In: Kubinyi, H., Folkers, G. & Martin, Y.C. (editors) 3D
QSAR in Drug Design. Volume 2. Ligand-Protein Interactions and Molecular
Similarity. pp. 381-398. Leiden: Kluwer/ESCOM, 1998.
Willett, P. “Structural similarity measures for database searching”. In: Schleyer,
P.von.R., Allinger, N.L., Clark, T., Gasteiger, J., Kollman, P.A., Schaefer, H.F. &
Schriener, P.R. (editors) Encyclopedia of Computational Chemistry. Volume 4, pp.
2748-2756. Chichester: John Wiley, 1998.
Willett, P. “Generation of equifrequently occurring groups of attributes”. In: Back, T.,
Fogel, D. & Michalewicz, Z. (editors) Handbook of Evolutionary Computing. pp. G2.2:16. New York: Oxford University Press USA, 1997.
Willett, P. “Using computational tools to analyze molecular diversity”. In: DeWitt, S.H.
& Czarnik, A.W. (editors) A Practical Guide to Combinatorial Chemistry. pp. 17-48.
Washington: American Chemical Society, 1997.
Willett, P. "Processing databases of chemical and biological structures on the
Distributed Array Processor". In: Keane, J.A. (editor) Parallel Information Processing.
pp. 239-253. Cheltenham: Stanley Thornes, 1996.
Jones, G., Willett, P. & Glen, R.C. "Genetic algorithms for chemical structure handling
and molecular recognition". In: Devillers, J. (editor) Genetic Algorithms in Molecular
Modelling. pp. 211-242. London: Academic Press, 1996.
Furner, J., Ellis, D. & Willett, P. "The representation and comparison of hypertext
documents using graphs". In: Agosti, M. & Smeaton, A.F. (editors) Information
Retrieval and Hypertext. pp. 75-96. Boston: Kluwer Academic Publishers, 1996.
Artymiuk, P.J., Grindley, H.M., MacKenzie, A.B., Rice, D.W., Ujah, E.C. & Willett, P.
"PROTEP: a program for graph-theoretic similarity searching of the 3-D structures in
the Protein Data Bank". In: Carbo, R. (editor) Molecular Similarity and Reactivity: from
Quantum Chemical to Phenomenological Approaches. pp. 123-140. Netherlands:
Kluwer Academic Publishers, 1995.
Artymiuk, P.J., Poirrette, A.R., Rice, D.W. & Willett, P. “Comparison of protein folds
and sidechain clusters using algorithms from graph theory.” In: Bailey, S., Hubbard, R.
& Waller, D.A. (editors) From First Map to Final Model. pp. 71-81. Daresbury: Science
and Engineering Research Council, 1995.
36.
Grindley, H.M. & Willett, P. "Similarity searching in databases of three-dimensional
molecules and macromolecules". In: Kent, A. & Williams, J.G. (editors) Encyclopaedia
of Microcomputers. Volume 15. pp. 313-335. New York: Marcel Dekker, 1994.
37.
Downs, G.M. & Willett, P. "Clustering of chemical-structure databases for compound
selection". In: van de Waterbeemd, H. (editor) Advanced Computer-Assisted
Techniques in Drug Discovery. pp. 111-130. New York: VCH, 1994.
38.
Willett, P. "Similarity-searching and clustering algorithms for processing databases of
two-dimensional and three-dimensional chemical structures". In: Dean, P.M. (editor)
Molecular Similarity in Drug Design. pp. 110-137. Glasgow: Chapman and Hall, 1994.
39.
Willett, P. "Similarity searching in databases of three-dimensional chemical structures".
In: Bock, H.H., Lenski, W. & Richter, M.M. (editors) Information Systems and Data
Analysis. Prospects, Foundations and Applications. pp. 280-293. Heidelberg:
Springer Verlag, 1993.
40.
Willett, P. "Database searching using array processors". In: Evans, D.J. (Editor)
Advances in Parallel Computing, 2, pp. 23-46. London: JAI Press, 1992.
41.
Downs, G.M. & Willett, P. "The use of similarity and clustering techniques for the
prediction of molecular properties". In: Devillers, J. & Karcher, W. (Editors) Applied
Multivariate Analysis in SAR and Environmental Studies. pp. 247-279. Brussels,
European Communities, 1991.
42.
Willett, P. "The future of chemical structure systems". In: Ash, J.E., Warr, W.A. &
Willett, P. (Editors) Chemical Structure Systems. pp 329-337. Chichester: Ellis
Horwood, 1991.
43.
Manson, G.A., Cringean, J.K. & Willett, P. "The use of transputers for text scanning of
bibliographical databases". In: Freeman, L. & Phillips, C. (Editors) Applications of
Transputers 1. pp. 237-243. Amsterdam: IOS Press, 1990.
44.
Lynch, M.F. & Willett, P. "The effects of hardware and software developments on basic
research in information science". In: Feeny, M. & Merry, K. (Editors) Information
Technology and the Research Process. pp. 114-129. London: Bowker-Saur, 1990.
45.
Willett, P. "Laboratory experimentation: an experimentalist's viewpoint". In: Bawden,
D. (Editor) User-Oriented Evaluation of Information Systems and Services. pp. 180187. Aldershot: Gower, 1990.
46.
Willett, P. "Algorithms for the calculation of similarity in chemical structure databases".
In: Johnson, M.A. & Maggiora, G.M. (editors) Concepts and Applications of Molecular
Similarity. pp. 43-63. New York: Wiley, 1990.
47.
Artymiuk, P.J., Grindley, H.M., Mitchell, E.M., Rice, D.W. & Willett, P. "Graph matching
techniques for databases of three-dimensional chemical structures". In: Bawden, D. &
Mitchell, E.M. (Editors) Chemical Information Systems. Beyond The Structure
Diagram. pp. 50-62. Chichester: Ellis Horwood. 1990.
48.
Willett, P. "Ranking and clustering of chemical structure databases." In: Jochum, C.,
Hicks, M.G. & Sunkel, J. (Editors) Physical Property Prediction in Organic Chemistry.
pp 191-207. Berlin: Springer Verlag, 1988.
49.
Willett, P. "The reaction indexing problem." In: Willett, P. (Editor) Modern Approaches
to Chemical Reaction Searching, pp 1-17. Aldershot: Gower, 1986.
Refereed Journal Articles
1.
Holliday, J.D., Kanoulas, E., Malim, N. & Willett, P. “Multiple search methods for
similarity-based virtual screening: analysis of search overlap and precision.” Journal of
Cheminformatics. In preparation. Journal of Cheminformatics, 3:29, 2011 (doi:
10.1186/1758-2946-3-29).
2.
Broadley, R. & Willett, P. “Effective public library outreach to homeless people.”
Library Review, 60, 2011, 658-670.
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Read, S., Bath, P.A., Willett, P. & Maheswaran. “Measuring the spatial accuracy of the
spatial scan statistic”. Spatial and Spatio-Temporal Epidemiology, 2, 2011, 69-78.
Brackenbury, H.L. & Willett, P. “Secondary school librarians as heads of department in
UK schools.” Library Management, 32, 2011, 237-250.
Bakri, A. & Willett, P. “Computer science research in Malaysian universities: a
bibliometric analysis.” Aslib Proceedings, 63, 2011, 321-335.
Willett, P. “Similarity-based data mining in files of two-dimensional chemical structures
using fingerprint-based measures of molecular resemblance.” Data Mining and
Knowledge Discovery, 1, 2011, 241-251.
Gardiner, E.J., Holliday, J.D., O’Dowd, C. & Willett, P. “Effectiveness of 2D fingerprints
for scaffold hopping”, Future Medicinal Chemistry, 3, 2011, 405-414.
Zhu, Q. & Willett, P. “Bibliometric analysis of Chinese superconductivity research,
1986-2007”. Aslib Proceedings, 63, 2011, 101-119.
Willett, P. “Chemoinformatics: a history”. Computational Molecular Science, 1, 2011,
46-56.
Willett, P. “Similarity searching using 2D structural fingerprints”. Methods in
Molecular Biology, 672, 2010, 133-158 (also In: Bajorath, J. (ed.) Chemoinformatics
and Computational Chemical Biology. New York: Springer, 2011)
Fuidge, V. & Willett, P. ''The role of the music specialist in music collections in English
public libraries”. Brio, 47(2), 2010, 36-46.
Al Jishi, R. & Willett, P. “The Journal of Chemical Documentation and the Journal of
Chemical Information and Computer Sciences: Publication and citation statistics”.
Journal of Chemical Information and Modeling, 50, 2010, 1915-1923.
Papadatos, G., Alkarouri, M., Gillet, V.J., Willett, P., Kadirkamanathan, V., Luscombe,
C.N., Bravi, G., Richmond, N.J., Pickett, S.D., Hussain, J., Pritchard, J.M., Cooper,
A.W.J. & Macdonald, S.J.F. “Lead optimisation using matched molecular pairs:
inclusion of contextual information for enhanced prediction of hERG inhibition,
solubility and lipophilicity”. Journal of Chemical Information and Modeling, 50, 2010,
1872-1886.
Li, J., Sanderson, M., Willett, P., Norris, M. & Oppenheim, C. “Ranking of library and
information science researchers: comparison of data sources for correlating citation
data and expert judgments”. Journal of Informetrics, 4, 2010, 554-563.
Arif, S., Holliday, J.D. & Willett, P. “Inverse frequency weighting of fragments for
similarity-based virtual screening.” Journal of Chemical Information and Modeling,
50, 2010, 1340-1349.
Chen, B., Mueller, C. & Willett, P. “Combination rules for group fusion in similaritybased virtual screening.” Molecular Informatics, 29, 2010, 533-541.
Wong, R., Willett, P. & Allen, F.H. “The scientific impact of the Cambridge Structural
Database: a citation-based study”. Journal of Applied Crystallography, 43, 2010, 811824.
Abdo, A., Chen, B., Mueller, C., Salim, N., & Willett, P. “Ligand-based virtual screening
using belief networks”. Journal of Chemical Information and Modeling, 50, 2010, 10121020.
Li, J. & Willett, P. “Bibliometric analysis of Chinese research in cyclisation, Maldi-Tof
and antibiotics”. Journal of Chemical Information and Modeling, 50, 2010, 22-29.
Willett, P. “A bibliometric analysis of Quantitative Structure-Activity Relationships and
QSAR & Combinatorial Science”. QSAR & Combinatorial Science, 28, 2009, 12311236.
Li, J. & Willett, P. “ArticleRank: a PageRank-based alternative to numbers of citations
for analysing citation networks”. Aslib Proceedings, 61, 2009, 605-618.
Varin, T., Bureau, R., Mueller, C. & Willett, P. “Clustering files of chemical structures
using the Székely-Rizzo generalisation of Ward’s method”. Journal of Molecular
Graphics and Modelling, 28, 2009, 187-195.
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Arif, S.M., Holliday, J.D. & Willett, P. “Analysis and use of fragment occurrence data in
similarity-based virtual screening”. Journal of Computer-Aided Molecular Design, 23,
2009, 655-668.
Gardiner, E.J., Gillet, V.J., Haranczyk, M., Hert, J., Holliday, J.D., Malin, N., Patel, Y. &
Willett, P. “Turbo similarity searching: effect of fingerprint and dataset on virtualscreening performance”. Statistical Analysis and Data Mining, 2, 2009, 103-114.
Bakri, A. & Willett, P. “The Malaysian Journal of Computer Science 1996-2006: a
bibliometric study.” Malaysian Journal of Library and Information Science, 14(2), 2009,
39-49.
Birchall, K., Gillet, V.J., Willett, P., Ducrot, P. & Luttmann, C. “Use of reduced graphs to
encode bioisosterism for similarity-based virtual screening”. Journal of Chemical
Information and Modeling, 49, 2009, 1330-1346.
Maheswaran, R., Craigs, C., Read, S., Bath, P.A. & Willett, P. “A graph-theory method
for pattern identification in geographical epidemiology – a preliminary application to
deprivation and mortality”. International Journal of Health Geographics, 8:28, 2009
(doi: 10.1186/1476-072X-8-28).
Chen, B., Mueller, C. & Willett, P. “Evaluation of a Bayesian inference network for
ligand-based virtual screening”. Journal of Cheminformatics, 1:5, 2009 (doi:
10.1186/1758-2946-1-5)
Arakaki, M. & Willett, P. “Webometric analysis of departments of librarianship and
information science: a follow-up study.” Journal of Information Science, 35, 2009, 143152.
Gardiner, E.J., Hunter, C.A. & Willett, P. “Structural fingerprints of transcription factor
binding site regions.” Algorithms, 2, 2009, 448-469.
Chu, C.W., Holliday, J.D. & Willett, P. “Effect of data standardization on chemical
clustering and similarity searching”. Journal of Chemical Information and Modeling,
49, 2009, 155-161.
Papadatos, G., Cooper, A.W.J., Kadirkamanathan, V., Macdonald, S.J.F., McLay, I.M.,
Pickett, S.D., Pritchard, J.M., Willett, P. & Gillet, V.J., “Analysis of neighborhood
behaviour in lead optimisation and array design”. Journal of Chemical Information and
Modeling, 49, 2009, 195-208.
Willett, P. “Similarity methods in chemoinformatics.” Annual Review of Information
Science and Technology, 43, 2009, 3-71.
Holliday, J.D. & Willett, P. “The influence of the DARC Project on chemoinformatics
research at the University of Sheffield.” Actualité Chimique, 320/321, 2008, 45-50.
Willett, P. “A bibliometric analysis of chemoinformatics.” Aslib Proceedings, 60,
2008, 4-17.
Haranczyk, M., Holliday, J.D., Willett, P. & Gutows, M. “Structure and singly occupied
molecular orbital analysis of anionic tautomers of guanine.” Journal of Computational
Chemistry, 29, 2008, 1277-1291.
Bakri, A. & Willett, P. “The Malaysian Journal of Library and Information Science 19962006: a bibliometric study.” Malaysian Journal of Library and Information Science, 13,
2008, 103-116.
Willett, P. “From chemical documentation to chemoinformatics: fifty years of chemical
information science.” Journal of Information Science, 34, 2008, 477-499.
Patel, Y., Gillet, V.J., Howe, T., Pastor, J., Oyarzabal, & Willett, P. “Assessment of
additive/non-additive effects in structure-activity relationships: implications for iterative
drug design”. Journal of Medicinal Chemistry, 51, 2008, 7552-7562.
Chen, B., Harrison, R.F., Papadatos, G., Willett, P., Wood, D.J., Lewell, X.Q.,
Greenidge, P. & Stiefl, N. “Evaluation of machine-learning methods for ligand-based
virtual screening.” Journal of Computer-Aided Molecular Design, 21, 2007, 53-62.
Gardiner, E.J., Gillet, V.J., Willett, P. & Cosgrove, D.A. “Representing clusters using
a maximum common edge substructure algorithm applied to reduced graphs and
molecular graphs.” Journal of Chemical Information and Modeling, 47, 2007, 354366.
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Willett, P. “A bibliometric analysis of the Journal of Molecular Graphics and
Modelling”, Journal of Molecular Graphics and Modelling, 26, 2007, 602-606.
Willett, P., Wilton, D.J., Hartzoulakis, B., Tang, R., Ford, J. & Madge, D. “Prediction of
ion channel activity using binary kernel discrimination.”
Journal of Chemical
Information and Modeling, 47, 2007, 1961-1966.
Hert, J., Willett, P., Wilton, D.J., Acklin, P., Azzaoui, Jacoby, E. & Schuffenhauer, A.
“New methods for ligand-based virtual screening: use of data-fusion and machinelearning techniques to enhance the effectiveness of similarity searching.” Journal of
Chemical Information and Modeling, 46, 2006, 462-470. (***)
Wilton, D.J., Harrison, R.F., Willett, P., Delaney, J., Lawson, K. & Mullier, G. “Virtual
screening using binary kernel discrimination: analysis of pesticide data.” Journal of
Chemical Information and Modeling, 46, 2006, 471-477.
Chen, B., Harrison, R.F., Pasupa, K., Wilton, D.J., Willett, P., Wood, D.J. & Lewell,
X.Q. “Virtual screening using binary kernel discrimination: effect of noisy training data
and the optimisation of performance.” Journal of Chemical Information and Modeling,
46, 2006, 478-486.
Barker, E.J., Buttar, D., Cosgrove, D.A., Gardiner, E.J., Gillet, V.J., Kitts, P. & Willett,
P. “Scaffold-hopping using clique detection applied to reduced graphs.” Journal of
Chemical Information and Modeling, 46, 2006, 503-511.
Rhodes, N.J., Clark, D.E. & Willett, P. “Similarity searching in databases of flexible 3D
structures using autocorrelation vectors derived from smoothed bounded distance
matrices.” Journal of Chemical Information and Modeling, 46, 2006, 615-619.
Mpamhanga, C.P., Chen, B., McLay, I.M. & Willett, P. “Knowledge based interaction
fingerprint scoring: a simple method for improving the effectiveness of fast scoring
functions.” Journal of Chemical Information and Modeling, 46, 2006, 686-698.
Hirons, L., Gardiner, E.J., Hunter, C.A. & Willett, P. “Structural DNA profiles: single
sequence queries.” Journal of Chemical Information and Modeling, 46, 2006, 743-752.
Gardiner, E.J., Hirons, L., Hunter, C.A. & Willett, P. “Genomic data analysis using
DNA structure: an analysis of conserved nongenic sequences and ultraconserved
elements.” Journal of Chemical Information and Modeling, 46, 2006, 753-761.
Bohl, M., Wendt, B., Heritage, T.H., Richmond, N. & Willett, P. “Unsupervised 3D ring
template searching as an ideas generator for scaffold hopping by LAMDA, RigFit and
Field-Based Similarity Search (FBSS) methods.” Journal of Chemical Information and
Modeling, 46, 2006, 1882-1890.
Penas, C.S. & Willett, P. “Gender differences in publication and citation counts in
librarianship and information science research”. Journal of Information Science, 32,
2006, 480-485.
Kennewell, E.A., Willett, P., Ducrot, P. & Luttmann, C. “Identification of target-specific
bioisosteric fragments from ligand-protein crystallographic data.” Journal of ComputerAided Molecular Design, 20, 2006, 385-394.
Whittle, M., Gillet, V.J., Willett, P. & Loesel, J. “Analysis of data fusion methods in
virtual screening: theoretical model”. Journal of Chemical Information and Modeling,
46, 2006, 2193-2205.
Whittle, M., Gillet, V.J., Willett, P. & Loesel, J. “Analysis of data fusion methods in
virtual screening: similarity and group fusion”. Journal of Chemical Information and
Modeling, 46, 2006, 2206-2219.
Richmond, N.J., Abrams, C., Wolohan, P.R.N., Abrahamian, E., Willett, P., & Clark,
R.D. “GALAHAD. 1. Pharmacophore identification by hypermolecular alignment of
ligands in 3D.” Journal of Computer-Aided Molecular Design, 20, 2006, 567-587.
Willett, P. “The Porter stemming algorithm: then and now.” Program, 40, 2006, 219223.
Willett, P. “Similarity-based virtual screening using 2D fingerprints.” Drug Discovery
Today, 11, 2006, 1046-1053. (***)
Willett, P. “Enhancing the effectiveness of ligand-based virtual screening using data
fusion.” QSAR and Combinatorial Science, 25, 2006, 1143-1152.
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Artymiuk, P.J., Spriggs, R.V & Willett, P. “Graph theoretic methods for the analysis of
structural relationships in biological macromolecules”. Journal of the American Society
for Information Science and Technology, 56, 2005, 518-528.
Willett, P. “Searching techniques for databases of two- and three-dimensional chemical
structures.” Journal of Medicinal Chemistry, 48, 2005, 4183-4199. (***)
Bayley, M.J., Gardiner, E.J., Willett, P. & Artymiuk, P.J. “A Fourier fingerprint-based
method for protein surface representation.” Journal of Chemical Information and
Modeling, 45, 2005, 696-707.
Hirons, L., Holliday, J.D., Jelfs, S.P., Willett, P. & Gedeck, P. “Use of the R-Group
Descriptor for alignment-free QSAR.” QSAR and Combinatorial Science, 24, 2005,
611-619.
Holliday, J.D., Salim, N. & Willett, P. “On the magnitudes of coefficient values in the
calculation of chemical similarity and dissimilarity” American Chemical Society
Symposium Series, 894, 2005, 77-95.
Hert, J., Willett, P., Wilton, D.J., Acklin, P., Azzaoui, K., Jacoby, E. & Schuffenhauer, A.
“Enhancing the effectiveness of similarity-based virtual screening using nearestneighbour information.” Journal of Medicinal Chemistry, 48, 2005, 7049-7054.
Bath, P.A., Craigs, C., Maheswaran, R., Raymond, J. & Willett, P. “Use of graph
theory to identify patterns of deprivation, high morbidity and mortality in public health
datasets”. Journal of the American Medical Informatics Association, 12, 2005, 630641.
Chen, B., Harrison, R.F., Hert, J., Mpanhanga, C., Willett, P. & Wilton, D.J. “Ligandbased virtual screening using binary kernel discrimination.” Molecular Simulation, 31,
2005, 597-604.
Salim, N., Holliday, J.D. & Willett, P. “On the significance of topological-indices based
non-binary molecular similarity measures.” Sains Malaysiana, 33(2), 2004, 157-172.
Holliday, J.D., Rodgers, S.L., Willett, P., Chen, M.-Y., Mahfouf, M., Lawson, K. &
Mullier, G. “Clustering files of chemical structures using the fuzzy k-means clustering
method”. Journal of Chemical Information and Computer Sciences, 44, 2004, 894902.
Hert, J., Willett, P., Wilton, D.J., Acklin, P., Azzaoui, K., Jacoby, E. & Schuffenhauer, A.
“Comparison of fingerprint-based methods for virtual screening using multiple bioactive
reference structures.” Journal of Chemical Information and Computer Sciences, 44,
2004, 1177-1185. (***)
Richmond, N.J., Willett, P., & Clark, R.D. “Alignment of three-dimensional molecules
using an image recognition algorithm”. Journal of Molecular Graphics and Modelling,
23, 2004, 199-209.
Whittle, M., Gillet, V.J., Willett, P., Alex, A. & Losel, J. “Enhancing the effectiveness of
virtual screening by fusing nearest-neighbour lists: A comparison of similarity
coefficients” Journal of Chemical Information and Computer Sciences, 44, 2004,
1840-1848.
Gardiner, E.J., Hunter, C.A., Lu, X.-J. & Willett, P. “A structural similarity analysis of
double-helical DNA.” Journal of Molecular Biology, 343, 2004, 879-889.
Hert, J., Willett, P., Wilton, D.J., Acklin, P., Azzaoui, K., Jacoby, E. & Schuffenhauer, A.
“Topological descriptors for similarity-based virtual screening using multiple bioactive
reference structures.” Organic and Biomolecular Chemistry, 2, 2004, 3256-3266. (***)
Bishop, N., Gillet, V.J., Holliday, J.D. & Willett, P. “Chemoinformatics research at the
University of Sheffield: a history and citation analysis”. Journal of Information Science,
29, 2003, 249-267.
Gaizauskas, R., Demetriou, G., Artymiuk, P.J. & Willett, P. “Protein structures and
information extraction from biological texts: the PASTA system”. Bioinformatics, 19,
2003, 135-143. (***)
Brown, N., Willett, P., Wilton, D.J. & Lewis, R.A. “Generation and display of activityweighted chemical hyperstructures”. Journal of Chemical Information and Computer
Sciences, 43, 2003, 288-297.
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Raymond, J.W., Blankley, C.J. & Willett, P. “Comparison of chemical clustering
methods using graph-based and fingerprint-based similarity measures”. Journal of
Molecular Graphics and Modelling, 21, 2003, 421-433.
Raymond, J.W. & Willett, P. “A line graph algorithm for clustering chemical structures
based on common substructural cores”. MATCH, 48, 2003, 197-207.
Gillet, V.J., Willett, P. & Bradshaw, J. “Similarity searching using reduced graphs”.
Journal of Chemical Information and Computer Sciences, 43, 2003, 338-345. (***)
Holliday, J.D., Jelfs, S.P., Willett, P. & Gedeck, P. “Calculation of inter-substituent
similarity using R-Group Descriptors”. Journal of Chemical Information and Computer
Sciences, 43, 2003, 406-411.
Spriggs, R.V., Artymiuk, P.J. & Willett, P. “Searching for patterns of amino acids in 3D
protein structures”. Journal of Chemical Information and Computer Sciences, 43,
2003, 412-421. (***)
Salim, N., Holliday, J.D. & Willett, P. “Combination of fingerprint-based similarity
coefficients using data fusion”. Journal of Chemical Information and Computer
Sciences, 43, 2003, 435-442. (***)
Rhodes, N., Willett, P., Calvet, A. & Humblet, A. “CLIP: Similarity searching of 3D
databases using clique detection”. Journal of Chemical Information and Computer
Sciences, 43, 2003, 443-448.
Whittle, M., Willett, P., Klaffke, W. & van Noort, P. “Evaluation of similarity measures
for searching the Dictionary of Natural Products database”. Journal of Chemical
Information and Computer Sciences, 43, 2003, 449-457.
Wilton, D., Willett, P., Mullier, G. & Lawson, K. “Comparison of ranking methods for
virtual screening in lead-discovery programmes”. Journal of Chemical Information and
Computer Sciences, 43, 2003, 469-474. (***)
Gardiner, E.J., Willett, P. & Artymiuk, P.J. “GAPDOCK: A genetic algorithm approach
to protein docking in CAPRI round 1”, Proteins: Structure, Function and Genetics, 52,
2003, 10-14.
Holliday, J.D., Salim, N., Whittle, M. & Willett, P. “Analysis and display of the size
dependence of chemical similarity coefficients”, Journal of Chemical Information and
Computer Sciences, 43, 2003, 819-828. (***)
Raymond, J.W. & Willett, P. “Similarity searching in databases of flexible 3D structures
using smoothed bounded distance matrices”, Journal of Chemical Information and
Computer Sciences, 43, 2003, 908-916.
Gardiner, E.J., Hunter, C.A., Packer, M.J. & Willett, P. “Sequence-dependent DNA
structure: a database of octamer structural parameters”. Journal of Molecular Biology,
332, 2003, 1025-1035.
Alemayehu, N. & Willett, P. “The effectiveness of stemming for the retrieval of Amharic
language text.” Program, 37, 2003, 254-259.
Harrison, A.-M., South, D.R., Willett, P. & Artymiuk, P.J. “Representation, searching
and discovery of patterns of bases in complex RNA structures”. Journal of ComputerAided Molecular Design, 17, 2003, 537-549.
Raymond, J.W., Gardiner, E.J. & Willett, P. “Heuristics for similarity searching of
chemical graphs using a maximum common edge subgraph algorithm.” Journal of
Chemical Information and Computer Sciences, 42, 2002, 305-316. (***)
Gillet, V.J., Khatib, W., Willett, P., Fleming, P.J. & Green, D.S.V. “Combinatorial library
design: using a multiobjective genetic algorithm.” Journal of Chemical Information and
Computer Sciences, 42, 2002, 375-385. (***)
Gillet, V.J., Willett, P., Fleming, P.J. & Green, D.V.S. “Designing focused libraries using
MoSELECT.” Journal of Molecular Graphics and Modelling, 20, 2002, 491-498.
Holliday, J.D., Hu, C.-Y. & Willett, P. “Grouping of coefficients for the calculation of
inter-molecular similarity and dissimilarity using 2D fragment bit-strings.”
Combinatorial Chemistry and High-Throughput Screening, 5, 2002, 155-166. (***)
Nakayama, S.-I. & Willett, P. “A sphere-based descriptor for matching protein
structures.” Journal of Molecular Modelling, 8, 2002, 199-207.
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Alemayehu, N. & Willett, P. “Stemming of Amharic words for information retrieval.”
Literary and Linguistic Computing, 17, 2002, 1-17.
Raymond, J.W. & Willett, P. “Effectiveness of graph-based and fingerprint-based
similarity measures for virtual screening of 2D chemical structure databases”, Journal
of Computer-Aided Molecular Design, 16, 2002, 59-71.
Raymond, J.W., Gardiner, E.J. & Willett, P. “RASCAL: Calculation of graph similarity
using maximum common edge subgraphs”. Computer Journal, 45, 2002, 631-644.
(***)
Bath, P.A., Craigs, C., Maheswaran, R., Raymond, J.W. & Willett, P. “Validation of
graph-theoretical methods for pattern identification in public health datasets”. Health
Informatics Journal, 8, 2002, 167-173.
Raymond, J.W. & Willett, P. “Maximum common subgraph isomorphism algorithms for
the matching of chemical structures”. Journal of Computer-Aided Molecular Design,
16, 2002, 521-533. (***)
Bohl, M., Dunbar, J.B., Gifford, E.M., Heritage, T., Wild, D.J., Willett, P. & Wilton, D.J.
“Scaffold searching: automated identification of similar ring systems for the design of
combinatorial libraries”. Quantitative Structure-Activity Relationships, 21, 2002, 590597.
Ashton, M., Barnard, J., Casset, F., Charlton, M., Downs, G., Gorse, D., Holliday, J.,
Lahana, R. & Willett, P. “Identification of diverse subsets using property-based and
fragment-based molecular descriptions”. Quantitative Structure-Activity Relationships,
21, 2002, 598-604.
Nakayama, S.-I., Mitsusada, E., Willett, P. & Yoshida, M. “A similarity score of protein
three dimensional structures by hard ball model using a genetic algorithm (2):
Overlapping of helix and sheet portions”. Journal of Computer-Aided Chemistry, 3,
2002, 117-123.
Verdonk, M.L., Cole, J.C., Watson, P., Gillet, V.J. & Willett, P. “SuperStar: improved
knowledge-based interaction fields for protein binding sites.” Journal of Molecular
Biology, 307, 2001, 841-859.
Gardiner, E.J., Willett, P. & Artymiuk, P.J. “Native protein docking using a genetic
algorithm.” Proteins: Structure, Function and Genetics, 44, 2001, 44-56. (***)
Redman, J., Willett, P., Allen, F.H. & Taylor, R. “A citation analysis of the Cambridge
Crystallographic Data Centre.” Journal of Applied Crystallography, 34, 2001, 375-380.
Jewell, N.E., Turner, D.B., Willett, P. & Sexton, G.J. “Automatic generation of
alignments for 3D QSAR analyses.” Journal of Molecular Graphics and Modelling, 20,
2001, 111-121.
Watson, P., Willett, P., Gillet, V.J. & Verdonk, M.L. “Calculating the knowledge-based
similarity of functional groups using crystallographic data.” Journal of Computer-Aided
Molecular Design, 15, 2001, 835-857.
Martin, Y.C., Willett, P., Lajiness, M., Johnson, M., Maggiora, G., Martin, E., Bures,
M.G., Gasteiger, J., Cramer, R.D., Pearlman, R.S. & Mason, J.S. “Diverse viewpoints
on computational aspects of molecular diversity.” Journal of Combinatorial Chemistry,
3, 2001, 231-25.
Willett, P. “Applications of information retrieval methods in computer-aided drug
discovery”. Jurnal Teknologi Maklumat, 1, 2001, 17-31.
Gillet, V.J. & Willett, P. “Introduction to computer-assisted combinatorial chemistry”.
Thai Journal of Pharmaceutical Sciences, 25, 2001, 31-39.
Gedeck, P. & Willett, P. “Visual and computational analysis of structure-activity
relationships in high-throughput screening data.” Current Opinion in Chemical Biology,
5, 2001, 389-395. (***)
Schofield, H., Wiggins, G. & Willett, P. “Recent developments in chemoinformatics
education.” Drug Discovery Today, 6, 2001, 931-934.
Willett, P. “Textual and chemical information retrieval: different applications but similar
algorithms.” Information Research, 5(2), 2000, at URL http://InformationR.net/ir/52/infres52.html
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135.
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137.
Willett, P. “Chemoinformatics - similarity and diversity in chemical libraries.” Current
Opinion in Biotechnology, 11, 2000, 85-88. (***)
Ekmekcioglu, F.C. & Willett, P. “Effectiveness of stemming for Turkish text retrieval.”
Program, 34, 2000, 195-200.
Turner, D.B. & Willett, P. “Evaluation of the EVA descriptor for QSAR studies. 3. The
use of a genetic algorithm to search for models with enhanced predictive properties
(EVA_GA).” Journal of Computer-Aided Molecular Design, 14, 2000, 1-21.
Rhodes, N., Willett, P., Dunbar, J. & Humblet, C. “Bit-string methods for selective
compound acquisition.” Journal of Chemical Information and Computer Sciences, 40,
2000, 210-214.
Gardiner, E.J., Willett, P. & Artymiuk, P.J. “Graph-theoretic techniques for
macromolecular docking” Journal of Chemical Information and Computer Sciences,
40, 2000, 273-279.
Schuffenhauer, A, Gillet, V.J. & Willett, P. “Similarity searching in files of 3D chemical
structures: analysis of the BIOSTER database using 2D fingerprints and molecular
field descriptors.” Journal of Chemical Information and Computer Sciences, 40, 2000,
295-307.
Turner, D.B. & Willett, P. “The EVA spectral descriptor.” European Journal of
Medicinal Chemistry, 35, 2000, 367-375.
Nakayama, S.-I., Yoshida, M. & Willett, P. “A similarity score of protein threedimensional structures by hard ball using a genetic algorithm.” Journal of ComputerAided Chemistry, 1, 2000, 15-21.
Furner, J, Ellis, D. & Willett, P. “Inter-linker consistency in the manual construction of
hypertext documents.” ACM Computing Surveys Symposium on Hypertext and
Hypermedia, at http://www.acm.org/pubs/contents/journals/surveys/1999-31 and at
http://www.acm.org/sigweb/ComputingSurveysSymposium/.
Edgar, S.J., Holliday, J.D. & Willett, P. “Effectiveness of retrieval in similarity searches
of chemical databases: a review of performance measures.” Journal of Molecular
Graphics and Modelling, 18, 2000, 343-357.
Ginn, C.M.R., Willett, P. & Bradshaw, J. “Combination of molecular similarity measures
using data fusion.” Perspectives in Drug Discovery and Design, 20, 2000, 1-16. (***)
Thomas, O. & Willett, P. “Webometric analysis of departments of librarianship and
information science.” Journal of Information Science, 26, 2000, 421-428. (***)
Neilson, K. & Willett, P. “United Kingdom regional newspapers on the World-Wide
Web.” Aslib Proceedings, 51, 1999, 78-90.
Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T. “Evaluation of a novel infra-red
range vibration-based descriptor (EVA) for QSAR studies. 2. Model validation using a
benchmark steroid dataset”. Journal of Computer-Aided Molecular Design, 13, 1999,
271-296.
Gillet, V.J., Willett, P., Bradshaw, J. & Green, D. “Selecting combinatorial libraries to
optimise diversity and physical properties.” Journal of Chemical Information and
Computer Sciences, 39, 1999, 169-177. (***)
Quarmby, K.L., Willett, P. & Wood, F.E. “Follow-up study of graduates from the MSc
Information Management programme at the University of Sheffield.” Journal of
Information Science, 25, 1999, 147-155.
Jones, G., Willett, P., Glen, R.C., Leach, A.R. & Taylor, R. “Further development of a
genetic algorithm for ligand docking and its application to screening combinatorial
libraries.” ACS Symposium Series, 719, 1999, 271-291.
Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T.W. “Development and
validation of the EVA descriptor for QSAR studies.” ACS Symposium Series, 719,
1999, 312-329.
Seel, M., Turner, D.B. & Willett, P. “Effect of parameter variations on the effectiveness
of HQSAR analyses.” Quantitative Structure-Activity Relationships, 18, 1999, 245-252.
Bayley, M.J. & Willett, P. “Binning schemes for partition-based compound selection.”
Journal of Molecular Graphics and Modelling, 17, 1999, 10-18.
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Willett, P. “Dissimilarity-based algorithms for selecting structurally diverse sets of
compounds.” Journal of Computational Biology, 6, 1999, 447-457.
Bayley, M.J., Jones, G., Willett, P. & Williamson, M.P. “GENFOLD: a genetic algorithm
for folding protein structures using NMR restraints”. Protein Science, 7, 1998, 491499.
Gillet, V.J., Willett, P. & Bradshaw, J. "Identification of biological activity profiles using
substructural analysis and genetic algorithms". Journal of Chemical Information and
Computer Sciences, 38, 1998, 165-179. (***)
Santos, M., Willett, P. & Wood, F.E. “Research degrees in librarianship and
information science: a survey of master’s and doctoral students from the Department
of Information Studies, University of Sheffield”.
Journal of Librarianship and
Information Science, 30, 1998, 49-56.
Gillet, V.J., Wild, D.J., Willett, P. & Bradshaw, J. “Similarity and dissimilarity methods
for processing chemical structure databases.” Computer Journal, 41, 1998, 547-558.
Thorner, D.A., Wild, D.J., Willett, P. & Wright, P.M. “Calculation of structural similarity
by the alignment of molecular electrostatic potentials”. Perspectives in Drug Discovery
and Design, 9-11, 1998, 301-320.
Heritage, T.W., Ferguson, A.M., Turner, D.B. & Willett, P. “EVA - a novel theoretical
descriptor for QSAR studies”. Perspectives in Drug Discovery and Design, 9-11, 1998,
381-398.
Gardiner, E.J., Holliday, J.D., Willett, P., Wilton, D.J. & Artymiuk, P.J. “Selection of
reagents for combinatorial synthesis using clique detection.” Quantitative StructureActivity Relationships, 17, 1998, 232-236.
Cosgrove, D.A. & Willett, P. “SLASH: a program for analysing the functional groups in
molecules.” Journal of Molecular Graphics and Modelling, 16, 1998, 19-32.
Drayton, S.K., Edwards, K., Jewell, N.E., Turner, D.B., Wild, D.J., Willett, P., Wright,
P.M. & Simmons, K. “Similarity searching in files of three-dimensional chemical
structures: identification of bioactive molecules.” Internet Journal of Chemistry, at URL
http://www.ijc.com/articles/1998v1/37/.
Schinke, R., Greengrass, M., Robertson, A.M. & Willett, P. “Retrieval of morphological
variants in searches of Latin text databases”. Computers and the Humanities, 31,
1998, 409-432.
van de Waterbeemd, H., Carter, R.E., Grassy, G., Kubinyi, H., Martin, Y.C., Tute, M.S.
& Willett, P. “Glossary of terms used in computational drug design”. Pure and Applied
Chemistry, 69, 1997, 1137-1152. Reprinted in Annual Reports in Medicinal Chemistry,
33, 1998, 397-410.
Robertson, A.M. & Willett, P. “Applications of n-grams in textual information systems”.
Journal of Documentation, 54, 1998, 48-69. (***)
Willett, P., Barnard, J.M. & Downs, G.M. “Chemical similarity searching.” Journal of
Chemical Information and Computer Sciences, 38, 1998, 983-996. (***)
Willett, P. “Computational tools for the analysis of molecular diversity”. Perspectives in
Drug Discovery and Design, 7/8, 1997, 1-11.
Turner, D.B., Tyrrell, S.M. & Willett, P. "Rapid quantification of molecular diversity for
selective database acquisition". Journal of Chemical Information and Computer
Sciences, 37, 1997, 18-22. (***)
Ginn, C.M.R., Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T.W. "Similarity
searching in files of three-dimensional chemical structures: evaluation of the EVA
descriptor and combination of rankings using data fusion." Journal of Chemical
Information and Computer Sciences, 37, 1997, 23-37. (***)
Thorner, D.A., Willett, P., Wright, P.M. & Taylor, R. "Similarity searching in files of
three-dimensional chemical structures: representation and searching of molecular
electrostatic potentials using field-graphs". Journal of Computer-Aided Molecular
Design, 11, 1997, 163-174.
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175.
Jones, G., Willett, P., Glen, R.C., Leach, A.R. & Taylor, R. “Development and
validation of a genetic algorithm for flexible docking.” Journal of Molecular Biology,
267, 1997, 727-748. (***)
Artymiuk, P.J., Poirrette, A.R., Rice, D.W. & Willett, P. “A polymerase I palm in
adenylyl cyclase?” Nature, 388, 1997, 33-34. (***)
Gillet, V.J., Willett, P. & Bradshaw, J. "The effectiveness of reactant pools for
generating structurally diverse combinatorial libraries".
Journal of Chemical
Information and Computer Sciences, 37, 1997, 731-740. (***)
Goddard, C.A., Willett, P. & Wood, F.E. “The use and value of MSc in Information
Studies/Information Management dissertations at the University of Sheffield.” Aslib
Proceedings, 49, 1997, 229-237.
Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T.W. “Evaluation of a novel infrared range vibration-based descriptor (EVA) for QSAR studies. I: General application”.
Journal of Computer-Aided Molecular Design, 11, 1997, 409-422. (***)
Bruno, I.J., Kemp, N.M., Artymiuk, P.J. & Willett, P. “Representation and searching of
carbohydrate structures using graph-theoretic techniques”. Carbohydrate Research,
304, 1997, 61-67.
Poirrette, A.R., Artymiuk, P.J., Rice, D.W. & Willett, P. “Comparison of protein surfaces
using a genetic algorithm”. Journal of Computer-Aided Molecular Design, 11, 1997,
557-569.
Snarey, M., Terret, N.K., Willett, P. & Wilton, D.J. “Comparison of algorithms for
dissimilarity-based compound selection.”
Journal of Molecular Graphics and
Modelling, 15, 1997, 372-385. (***)
Greengrass, M., Schinke, R., Robertson, A.M. & Willett, P. "PhiloFacs: a tool for
searching Latin text databases". History and Computing, 9, 1997, 29-35.
Holliday, J.D. & Willett, P. “Identification of common structural features in sets of
ligands using a genetic algorithm”. Journal of Molecular Graphics and Modelling, 15,
1997, 221-232.
Clarke, S.J. & Willett, P. “Estimating the recall performance of Web search engines”.
Aslib Proceedings, 49, 1997, 184-189. (***)
Gardiner, E.J., Artymiuk, P.J. & Willett, P. “Clique-detection algorithms for matching
three-dimensional molecular structures.” Journal of Molecular Graphics and Modelling,
15, 1997, 245-253.
Artymiuk, P.J., Poirrette, A.R., Rice, D.W. & Willett, P. "Biotin carboxylase comes into
the fold". Nature Structure Biology, 3, 1996, 128-132. (***)
Ellis, D., Furner-Hines, J. and Willett, P. "On the creation of hypertext links in full-text
documents: measurement of retrieval effectiveness". Journal of the American Society
for Information Science, 47, 1996, 287-300.
Ekmekçioglu, F.C., Lynch, M.F., Robertson, A.M., Sembok, T.M.T. & Willett, P.
"Comparison of n-gram matching and stemming for term conflation in English, Malay
and Turkish texts". Text Technology, 6(1), 1996, 1-14.
Wild, D.J. & Willett, P. "Similarity searching in files of three-dimensional chemical
structures: alignment of molecular electrostatic potentials with a genetic algorithm".
Journal of Chemical Information and Computer Sciences, 36, 1996, 159-167. (***)
Thorner, D.A., Wild, D.J., Willett, P. & Wright, P.M. "Similarity searching in files of
three-dimensional chemical structures: flexible field-based searching of molecular
electrostatic potentials". Journal of Chemical Information and Computer Sciences, 36,
1996, 900-908. (***)
Schinke, R., Greengrass, M., Robertson, A.M. & Willett, P. "A stemming algorithm for
Latin text databases". Journal of Documentation , 52, 1996, 172-187.
Holliday, J.D. & Willett, P. "Definitions of ‘dissimilarity’ for dissimilarity-based
compound selection". Journal of Biomolecular Screening, 1, 1996, 145-151.
Robertson, A.M & Willett, P. "An upperbound to the performance of ranked-output
searching: optimal weighting of query terms using a genetic algorithm". Journal of
Documentation, 52, 1996, 405-420.
176.
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193.
194.
Jones, G., Willett, P. & Glen, R.C. "Molecular recognition of receptor sites using a
genetic algorithm with a description of desolvation". Journal of Molecular Biology, 245,
1995, 43-53. (***)
Lim, B.S. & Willett, P. "The citedness of publications by United Kingdom schools and
departments of library and information studies". Journal of Information Science, 21,
1995, 68-71.
Artymiuk, P.J., Rice, D.W., Poirrette, A.R. & Willett, P. "-glucosyl transferase and
phosphorylase reveal their common theme". Nature Structural Biology, 2, 1995, 117120.
Allen, F.H., Bath, P.A. & Willett, P. "Angular spectroscopy: rapid visualisation of threedimensional substructure dissimilarity using valence angle or torsion angle
descriptors". Journal of Chemical Information and Computer Sciences, 35, 1995, 261271.
Kirriemuir, J. W. & Willett, P. "Identification of duplicate and near-duplicate full-text
records in database-search outputs using hierarchic cluster analysis". Program, 29,
1995, 241-256.
Bath, P.A., Poirrette, A.R., Willett, P. & Allen, F.H. "The extent of the relationship
between the graph-theoretical and the geometrical shapes of molecules". Journal of
Chemical Information and Computer Sciences, 35, 1995, 714-716.
Furner, J. & Willett, P. "A survey of hypertext-based public-access point-of-information
systems in United Kingdom libraries". Journal of Information Science , 21, 1995, 243255.
Furner-Hines, J. & Willett, P. "The use of the World-Wide Web in UK academic
libraries". Aslib Proceedings, 47, 1995, 23-32.
Turner, D.B., Willett, P., Ferguson, A.M. & Heritage, T.W. "Similarity searching in files
of three-dimensional chemical structures: evaluation of similarity coefficients and
standardisation methods for field-based similarity searching. SAR and QSAR in
Environmental Research, 3, 1995, 101-130.
Downs, G.M., Gill, G.S. Willett, P. & Walsh, P.T. "Automated descriptor selection and
hyperstructure generation to assist SAR studies". SAR and QSAR in Environmental
Research, 3, 1995, 253-264.
Jones, G., Willett, P. & Glen, R.C. "A genetic algorithm for flexible molecular overlay
and pharmacophore detection". Journal of Computer-Aided Molecular Design, 9,
1995, 532-549. (***)
Holliday, J.D., Ranade, S.S. & Willett, P. "A fast algorithm for selecting sets of
dissimilar structures from large chemical databases". Quantitative Structure-Activity
Relationships, 14, 1995, 501-506. (***)
Ekmekçioglu, F.C., Lynch, M.F. & Willett, P. "Development and evaluation of conflation
techniques for the implementation of a document retrieval system for Turkish text
databases". New Review of Document and Text Management, 1, 1995, 131-146.
Willett, P. "Genetic algorithms in molecular recognition and design". Trends in
Biotechnology, 13, 1995, 516-521. (***)
Artymiuk, P.J., Poirrette, A.R., Rice, D.W. & Willett, P. "The use of graph-theoretic
methods for the comparison of the structures of biological macromolecules". Topics in
Current Chemistry, 174, 1995, 73-103.
Downs, G.M. & Willett, P. "Similarity searching in databases of chemical structures".
Reviews in Computational Chemistry, 7, 1995, 1-66. (***)
Jones, G. & Willett, P. "Docking small-molecule ligands into active sites". Current
Opinion in Biotechnology, 6, 1995, 652-656.
Willett, P. "Searching for pharmacophoric patterns in databases of three-dimensional
chemical structures". Journal of Molecular Recognition, 8, 1995, 290-303.
Ingwersen, P. & Willett, P. "An introduction to algorithmic and cognitive approaches for
information retrieval". Libri, 45, 1995, 160-177.
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212.
Ellis, D., Furner-Hines, J. & Willett, P. "Measuring the degree of similarity between
objects in text retrieval systems". Perspectives in Information Management, 3, 1994,
128-149.
Bures, M.G., Martin, Y.C. & Willett, P. "Searching techniques for databases of threedimensional chemical structures". Topics in Stereochemistry, 21, 1994, 467-511.
Jones, G., Robertson, A.M. & Willett, P. "An introduction to genetic algorithms and to
their use in information retrieval". Online and CD-ROM Review, 18, 1994, 3-13.
Brown, R.D., Downs, G.M., Jones, G. & Willett, P. "A hyperstructure model for
chemical structure handling: techniques for substructure searching". Journal of
Chemical Information and Computer Sciences, 34, 1994, 47-53.
Artymiuk, P.J., Grindley, H.M., Poirrette, A.R., Rice, D.W., Ujah, E.C. & Willett, P.
"Identification of -sheet motifs, of -loops and of patterns of amino-acid residues in
three-dimensional protein structures using a subgraph-isomorphism algorithm".
Journal of Chemical Information and Computer Sciences, 34, 1994, 54-62.
Brown, R.D., Jones, G.J., Willett, P. & Glen, R.C. "Matching two-dimensional chemical
graphs using genetic algorithms". Journal of Chemical Information and Computer
Sciences, 34, 1994, 63-70.
Bath, P.A., Poirrette, A.R., Willett, P. & Allen, F.H. "Similarity searching in files of threedimensional chemical structures: comparison of fragment-based measures of shape
similarity". Journal of Chemical Information and Computer Sciences, 34, 1994, 141147.
Clark, D.E., Jones, G., Willett, P., Kenny, P.W. & Glen, R.C. "Pharmacophoric pattern
matching in files of three-dimensional chemical structures: comparison of
conformational-searching algorithms for flexible searching". Journal of Chemical
Information and Computer Sciences, 34, 1994, 197-206. (***)
Wild, D.J. & Willett, P. "Similarity searching in files of three-dimensional chemical
structures. Implementation of atom mapping on the Distributed Array Processor DAP610, The MasPar MP-1104 and the Connection Machine CM-200". Journal of
Chemical Information and Computer Sciences, 34, 1994, 224-231.
Ellis, D., Furner-Hines, J. & Willett, P. "On the creation of hypertext links in full-text
documents: measurement of inter-linker consistency". Journal of Documentation, 50,
1994, 67-98.
Robertson, A.M. & Willett, P. "Generation of equifrequent groups of words using a
genetic algorithm". Journal of Documentation, 50, 1994, 213-232.
Downs, G.M., Willett, P. & Fisanick, W. "Similarity searching and clustering of
chemical-structure databases using molecular property data". Journal of Chemical
Information and Computer Sciences, 34, 1994, 1094-1102. (***)
Poirrette, A.R., Artymiuk, P.J., Grindley, H.M., Rice, D.W. & Willett, P. "Structural
similarity between binding sites in influenza sialidase and isocitrate dehydrogenase:
implications for an alternative approach to rational drug design". Protein Science, 3,
1994, 1128-1130.
Artymiuk, P.J., Poirrette, A.R., Grindley, H.M., Rice, D.W. & Willett, P. "A graphtheoretic approach to the identification of three-dimensional patterns of amino acid
side-chains in protein structures. Journal of Molecular Biology, 243, 1994, 327-344.
(***)
Artymiuk, P.J., Rice, D.W., Poirrette, A.R. & Willett, P. "A tale of two synthetases".
Nature Structural Biology, 1, 1994, 758-760. (***)
Grindley, H.M., Artymiuk, P.J., Rice, D.W. & Willett, P. "Identification of tertiary
structure resemblance in proteins using a maximal common subgraph isomorphism
algorithm". Journal of Molecular Biology, 229, 1993, 707-721. (***)
Poirrette, A.R., Willett, P. & Allen, F.H. "Pharmacophoric pattern matching in files of
three-dimensional chemical structures: characterisation and use of generalised torsion
angle screens". Journal of Molecular Graphics, 11, 1993, 2-14.
Artymiuk, P.J., Grindley, H.M., Kumar, K., Rice, D.W. & Willett, P. "Three-dimensional
structural resemblance between the ribonuclease H and connection domains of HIV
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reverse transcriptase revealed using graph theoretical techniques". FEBS Letters, 324,
1993, 15-21.
Shaw, R.J. & Willett, P. "On the non-random nature of nearest-neighbour document
clusters". Information Processing and Management, 29, 1993, 449-452.
Robertson, A.R. & Willett, P. "A comparison of spelling-correction methods for the
identification of word forms in historical text databases". Literary and Linguistic
Computing, 8, 1993, 143-152.
Frith, A.R., Robertson, A.M. & Willett, P. "Effectiveness of similarity measures and of
query expansion techniques for searching databases of 16th, 17th and 18th century
English text". Journal of Document and Text Management, 1, 1993, 155-172.
Clark, D.E., Willett, P. & Kenny, P.W. "Pharmacophoric pattern matching in files of
three-dimensional chemical structures: implementation of flexible searching". Journal
of Molecular Graphics, 11, 1993, 146-156.
Bath, P.A., Morris, C.A. & Willett, P. "Effect of standardisation on fragment-based
measures of structural similarity". Journal of Chemometrics, 7, 1993, 543-550.
Willett, P. "A review of three-dimensional chemical structure retrieval systems".
Journal of Chemometrics, 6, 1992, 289-305.
Ekmekcioglu, F.C., Robertson, A.M. & Willett, P. "Effectiveness of query expansion in
ranked-output document-retrieval systems". Journal of Information Science, 18, 1992,
139-147.
Artymiuk, P.J., Grindley, H.M., Park, J.E., Rice, D.W. & Willett, P. "Three-dimensional
structural resemblance between leucine aminopeptidase and carboxypeptidase A
revealed by graph-theoretical techniques". FEBS Letters, 303, 1992, 48-52.
Popovic, M. & Willett, P. "The effectiveness of stemming for natural-language access
to Slovene textual data". Journal of the American Society for Information Science, 43,
1992, 384-390. (***)
Bradley, S.J., Willett, P. & Wood, F.E. "A publication and citation analysis of the
Department of Information Studies, University of Sheffield, 1980-1990". Journal of
Information Science, 18, 1992, 225-232.
Brown, R.D., Downs, G.M., Willett, P. & Cook, A.P.F "A hyperstructure model for
chemical structure handling: generation and atom-by-atom searching of
hyperstructures". Journal of Chemical Information and Computer Sciences, 32, 1992,
522-531.
Artymiuk, P.J., Bath, P.A., Grindley, H.M., Pepperrell, C.A., Poirrette, A.R., Rice, D.W.,
Thorner, D.A., Wild, D.J., Willett, P., Allen, F.H. & Taylor, R. "Similarity searching in
databases of three-dimensional molecules and macromolecules". Journal of Chemical
Information and Computer Sciences, 32, 1992, 617-630.
Clark, D.E., Willett, P. & Kenny, P.J. "Pharmacophoric pattern matching in files of
three-dimensional chemical structures: use of smoothed bounded-distance matrices
for the representation and searching of conformationally-flexible molecules". Journal
of Molecular Graphics, 10, 1992, 194-204.
Al-Hawamdeh, S., Smith, G. & Willett, P. "Paragraph-based access to full-text
documents using a hypertext system". Program, 25, 1991, 119-132.
Peat, H.J. & Willett, P. "The limitations of term co-occurrence data for query expansion
in document retrieval systems". Journal of the American Society for Information
Science, 42, 1991, 378-383. (***)
Willett, P., Wilson, T. & Reddaway, S.F. "Atom-by-atom searching using massive
parallelism. Implementation of the Ullmann subgraph isomorphism algorithm on the
Distributed Array Processor". Journal of Chemical Information and Computer
Sciences, 31, 1991, 225-233.
Cringean, J.K., England, R., Manson G.A. & Willett, P. "Network design for the
implementation of text searching using a multicomputer". Information Processing and
Management, 27, 1991, 265-283.
Clark, D.E., Willett, P. & Kenny, P.W. "Pharmacophoric pattern matching in files of
three-dimensional chemical structures: use of smoothed bounded distances for
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incompletely specified query patterns". Journal of Molecular Graphics, 9, 1991, 157160.
Pepperrell, C.A., Poirrette, A.R., Willett, P. & Taylor, R. "Development of an atommapping procedure for similarity searching in databases of three-dimensional chemical
structures". Pesticide Sciences, 33, 1991, 97-111.
Pepperrell, C.A. & Willett, P. "Techniques for the calculation of three-dimensional
structural similarity using inter-atomic distances".
Journal of Computer-Aided
Molecular Design, 5, 1991, 455-474.
Rogers, H.J. & Willett, P. "Searching for historical word forms in text databases using
spelling-correction methods: reverse error and phonetic coding methods". Journal of
Documentation, 47, 1991, 333-353.
Al-Hawamdeh, S., deVere, R., Smith, G. & Willett, P. "Using nearest neighbour
searching techniques to access full-text documents". Online Review, 15, 1991, 173191.
Poirrette, A.R., Willett, P. & Allan, F.H. "Pharmacophoric pattern matching in files of
three-dimensional chemical structures: characterisation and use of generalised
valence angle screens". Journal of Molecular Graphics, 9, 1991, 203-217.
Cringean, J.K., England, R., Manson, G.A. & Willett, P. "Nearest-neighbour searching
in files of text signatures using transputer networks".
Electronic Publishing:
Origination, Dissemination and Design, 4, 1991, 185-203.
Mitchell, E.M., Artymiuk, P.J., Rice, D.W. & Willett, P. "Use of techniques derived from
graph theory to compare secondary structure motifs in proteins". Journal of Molecular
Biology, 212, 1990, 151-166. (***)
Artymiuk, P.J., Rice, D.W., Mitchell, E.M. & Willett, P. "Structural resemblance between
the families of bacterial signal-transduction proteins and of G proteins revealed by
graph theoretical techniques". Protein Engineering, 4, 1990, 39-43. (***)
Cringean, J.K., Pepperrell, C.A., Poirrette, A.R. & Willett, P. "Selection of screens for
three-dimensional substructure searching". Tetrahedron Computer Methodology, 3,
1990, 37-46.
Popovic, M. & Willett, P. "Processing of documents and queries in a Slovene language
free text retrieval system". Literary and Linguistic Computing, 5, 1990, 182-190.
Ormerod, A., Willett, P. & Bawden, D. "Further comparative studies of fragment
weighting schemes for substructural analysis".
Quantitative Structure-Activity
Relationships, 9, 1990, 302-312.
Lynch, M.F. & Willett, P. "Chemical structure handling: a review of current research in
the Department of Information Studies, University of Sheffield". CHIMICA Oggi, 8(12),
1990, 55-63.
Pepperrell, C.A., Taylor, R. & Willett, P. "Implementation and use of an atom-mapping
procedure for similarity searching in databases of 3-D chemical structures".
Tetrahedron Computer Methodology, 3, 1990, 575-593.
Rasmussen, E.M., Willett, P., Wilson, T., Manson, G.A. & Wilson, G.A. "Searching of
chemical structure databases using parallel computer hardware". Analytica Chimica
Acta, 235, 1990, 77-86.
Martin, Y.C., Bures, M.G. & Willett, P. "Searching databases of three-dimensional
structures". Reviews in Computational Chemistry, 1, 1990, 213-263.
Willett, P. "Textual and chemical information processing using parallel computer
hardware". Journal of Information Science, 15, 1989, 223-236.
Lipscombe, K.J., Lynch, M.F. & Willett, P. "Chemical structure processing". Annual
Review of Information Science and Technology, 24, 1989, 189-238.
Al-Hawamdeh, S. & Willett, P. "Comparison of index term weighting schemes for the
ranking of paragraphs in full-text documents". International Journal of Information and
Library Research, 1, 1989, 116-130.
Rasmussen, E.M. & Willett, P. "Efficiency of hierarchic agglomerative clustering using
the ICL Distributed Array Processor." Journal of Documentation, 45, 1989, 1-24.
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255.
256.
257.
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259.
260.
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264.
265.
266.
267.
268.
269.
270.
Wade, S.J., Willett, P. & Bawden, D. "SIBRIS: the Sandwich Interactive Browsing and
Ranking Information System". Journal of Information Science, 15, 1989, 249-260.
Artymiuk, P.J., Mitchell, E.M., Rice, D.W. & Willett, P. "Searching techniques for
databases of protein secondary structures". Journal of Information Science, 15, 1989,
287-298.
Willett, P. & Wood, F.E. "Use of the INSTRUCT text retrieval program at the
Department of Information Studies, University of Sheffield". Education for Information,
7, 1989, 133-141.
Brint, A.T., Davies, H.M., Mitchell, E.M. & Willett, P. "Rapid geometric searching in
protein structures." Journal of Molecular Graphics, 7, 1989, 48-53.
El-Hamdouchi, A. & Willett, P. "Comparison of hierarchic agglomerative clustering
methods for document retrieval." Computer Journal, 32, 1989, 220-227. (***)
Biru, T., El-Hamdouchi, A., Rees, R.S. & Willett, P. "Inclusion of relevance information
in the term discrimination model". Journal of Documentation, 45, 1989, 85-109.
Ormerod, A., Willett, P. & Bawden, D. "Comparison of fragment weighting schemes for
substructural analysis". Quantitative Structure-Activity Relationships, 8, 1989, 115129.
Croft, W.B., Lucia, T.J., Cringean, J. & Willett, P. "Retrieving documents by plausible
inference: an experimental study". Information Processing and Management, 25,
1989, 599-614. (***)
Al-Hawamdeh, S. & Willett, P. "Paragraph-based nearest neighbour searching in fulltext documents". Electronic Publishing: Origination, Dissemination and Design, 2,
1989, 179-192.
Wade, S.J. & Willett, P. "INSTRUCT: a teaching package for experimental methods in
information retrieval. Part III. Browsing, clustering and query expansion." Program,
22, 1988, 44-61.
El-Hamdouchi, A. & Willett, P. "An improved algorithm for the calculation of exact term
discrimination values." Information Processing and Management, 24, 1988, 17-22.
Rasmussen, E.M., Downs, G.M. & Willett, P. "Automatic classification of chemical
structure databases using a highly parallel array processor." Journal of Computational
Chemistry, 9, 1988, 378-386.
Wade, S.J., Willett, P., Robinson, B., Vickery, A. & Vickery, B. "A comparison of
knowledge-based and statistically-based approaches to reference retrieval." Online
Review, 12, 1988, 91-108.
Willett, P. "Recent trends in hierarchic document clustering: a critical review."
Information Processing and Management, 24, 1988, 577-597. (***)
Carroll, D.M., Pogue, C.A. & Willett, P. "Bibliographic pattern matching using the ICL
Distributed Array Processor." Journal of the American Society for Information Science,
39, 1988, 390-399.
Brint, A.T., Gillet, V.J., Lynch, M.F., Willett, P., Manson, G.A. & Wilson, G.A. "Chemical
graph matching using transputer networks." Parallel Computing, 8, 1988, 295-300.
Pogue, C.A., Rasmussen, E.M. & Willett, P. "Searching and clustering of databases
using the ICL Distributed Array Processor." Parallel Computing, 8, 1988, 399-407.
Cringean, J.K., Manson, G.A., Willett, P. & Wilson, G.A. "Efficiency of text scanning in
bibliographic databases using microprocessor-based, multiprocessor networks."
Journal of Information Science, 14, 1988, 335-345.
Brint, A.T. & Willett, P. "Upperbound procedures for the identification of similar threedimensional chemical structures." Journal of Computer-Aided Molecular Design, 2,
1988, 311-320.
Downs, G.M., Lynch, M.F., Willett, P., Manson, G.A. & Wilson, G.A. "Transputer
implementations of chemical substructure searching algorithms".
Tetrahedron
Computer Methodology, 1, 1988, 207-217.
Willett, P. "Software and hardware techniques for string searching in serial document
databases." World Patent Information, 10, 1988, 120-129.
271.
272.
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277.
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280.
281.
282.
283.
284.
285.
286.
287.
288.
289.
290.
Willett, P. "A review of chemical structure retrieval systems."
Journal of
Chemometrics, 1, 1987, 139-155.
Lynch, M.F. & Willett, P. "Information retrieval research in the Department of
Information Studies, University of Sheffield: 1965-1985." Journal of Information
Science, 13, 1987, 221-234.
Lynch, M.F. & Willett, P. "Current research into chemical and textual information
retrieval at the Department of Information Studies, University of Sheffield." Information
Processing and Management, 23, 1987, 447-463.
Jakes, S.E., Watts, N., Willett, P., Bawden, D. & Fisher, J.D. "Pharmacophoric pattern
matching in files of 3D chemical structures: evaluation of search performance." Journal
of Molecular Graphics, 5, 1987, 41-48. (***)
Brint, A.T. & Willett, P. "Pharmacophoric pattern matching in files of 3D chemical
structures: comparison of geometric searching algorithms." Journal of Molecular
Graphics, 5, 1987, 49-56. (***)
Stewart, M. & Willett, P. "Nearest neighbour searching in binary search trees:
simulation of a multiprocessor system." Journal of Documentation, 43, 1987, 93-111.
Pogue, C.A. & Willett, P. "Use of text signatures for document retrieval in a highly
parallel environment." Parallel Computing, 4, 1987, 259-268.
El-Hamdouchi, A. & Willett, P. "Techniques for the measurement of clustering
tendency in document retrieval systems." Journal of Information Science, 13, 1987,
361-365.
Brint, A.T. & Willett, P. "Algorithms for the identification of three-dimensional maximal
common substructures." Journal of Chemical Information and Computer Sciences, 27,
1987, 152-158. (***)
Brint, A.T. & Willett, P. "Identification of 3-D maximal common substructures using
transputer networks." Journal of Molecular Graphics, 5, 1987, 200-207.
McCall, F.M. & Willett, P. "Criteria for the selection of search strategies in best match
document retrieval systems." International Journal of Man-Machine Studies, 25, 1986,
317-326.
Griffiths, A., Luckhurst, H.D. & Willett, P. "Using inter-document similarity information in
document retrieval systems." Journal of the American Society for Information Science,
37, 1986, 3-11. (***)
Willett, P., Winterman, V. & Bawden, D. "Implementation of nearest neighbour
searching in an online chemical structure search system." Journal of Chemical
Information and Computer Sciences, 26, 1986, 36-41. (***)
Jakes, S.E. & Willett, P. "Pharmacophoric pattern matching in files of 3-D chemical
structures: selection of inter-atomic distance screens." Journal of Molecular Graphics,
4, 1986, 12-20. (***)
Willett, P. & Winterman, V. "A comparison of some measures of inter-molecular
structural similarity." Quantitative Structure-Activity Relationships, 5, 1986, 18-25. (***)
Hendry, I. G., Willett, P. and Wood, F. E. "INSTRUCT: a teaching package for
experimental methods in information retrieval. Part I. The users' view." Program, 20,
1986, 245-263.
Hendry, I.G., Willett, P. and Wood, F.E. "INSTRUCT: a teaching package for
experimental methods in information retrieval. Part II. Computational aspects."
Program, 20, 1986, 382-393.
Walker, J.R. & Willett, P. "Compression of nucleic acid and protein sequence data."
Computer Applications in the Biosciences, 2, 1986, 89-93.
Willett, P., Winterman, V. & Bawden, D. "Implementation of non-hierarchic cluster
analysis methods in chemical information systems: selection of compounds for
biological testing and clustering of substructure search output." Journal of Chemical
Information and Computer Sciences, 26, 1986, 109-118. (***)
Gillet, V.J., Welford, S.M., Lynch, M.F., Willett, P., Barnard, J.M., Downs, G.M.,
Manson, G.A., & Thompson, J. "Computer storage and retrieval of generic chemical
structures in patents, Part 7. Parallel simulation of a relaxation algorithm for chemical
291.
292.
293.
294.
295.
296.
297.
298.
299.
300.
301.
302.
303.
304.
305.
306.
307.
308.
309.
310.
311.
312.
substructure search." Journal of Chemical Information and Computer Sciences, 26,
1986, 118-126.
Willett, P. "Query-specific automatic document classification." International Forum on
Information and Documentation, 10, 1985, 28-32.
Willett, P. "Clustering tendency in chemical classifications." Journal of Chemical
Information and Computer Sciences, 25, 1985, 78-80.
Willett, P. "An algorithm for chemical superstructure searching." Journal of Chemical
Information and Computer Sciences, 25, 1985, 114-116.
Willett, P. "An algorithm for the calculation of exact term discrimination values."
Information Processing and Management, 21, 1985, 225-232.
Mohan, K.C. & Willett, P. "Nearest neighbour searching in serial files using text
signatures." Journal of Information Science, 11, 1985, 31-39.
Willett, P. "A note on the use of nearest neighbours for implementing single linkage
document classifications." Journal of the American Society for Information Science,
35, 1984, 149-152.
Willett, P. "An evaluation of relocation clustering algorithms for the automatic
classification of chemical structures." Journal of Chemical Information and Computer
Sciences, 24, 1984, 29-33.
Willett, P. "A nearest neighbour search algorithm for bibliographic retrieval from multilist files." Information Technology: Research and Development, 3, 1984, 78-83.
Griffiths, A., Robinson, L.A. & Willett, P. "Hierarchic agglomerative clustering methods
for automatic document classification." Journal of Documentation, 40, 1984, 175-205.
(***)
Pogue, C.A. & Willett, P. "An evaluation of document retrieval from serial files using
the ICL Distributed Array Processor." Online Review, 8, 1984, 569-584.
Harding, A.F., Lynch, M.F. & Willett, P. "Document retrieval using a serial bit string
search." Information Processing and Management, 19, 1983, 1-8.
Willett, P. "Some heuristics for nearest neighbour searching in chemical structure
files." Journal of Chemical Information and Computer Sciences, 23, 1983, 22-25.
Rubin, V. & Willett, P. "A comparison of some hierarchal monothetic divisive clustering
algorithms for structure property correlation." Analytica Chimica Acta, 151, 1983, 161166.
Perry, S.A., & Willett, P. "A review of the use of inverted files for best match searching
in information retrieval systems." Journal of Information Science, 6, 1983, 59-66. (***)
Angell, R.C., Freund, G.E. & Willett, P. "Automatic spelling correction using a trigram
similarity measure." Information Processing and Management, 19, 1983, 255-261.
(***)
Willett, P. "Similarity coefficients and weighting functions for automatic document
classification: an empirical comparison." International Classification, 10, 1983, 138142.
Willett, P. "Some current information retrieval research in the United Kingdom."
Journal of the American Society for Information Science, 33, 1982, 262-264.
Rowbottom, M.E. & Willett, P. "The effect of subject matter on the automatic indexing
of full text." Journal of the American Society for Information Science, 33, 1982, 139141.
Willett, P. "A comparison of some hierarchal agglomerative clustering algorithms for
structure property correlation." Analytica Chimica Acta, 136, 1982, 29-37.
Freund, G.E. & Willett, P. "Online identification of word variants and arbitrary truncation
searching using a string similarity measure." Information Technology: Research and
Development, 1, 1982, 177-187.
Willett, P. "The calculation of inter-molecular similarity coefficients using an inverted file
algorithm." Analytica Chimica Acta, 138, 1982, 339-342.
Willett, P. "A fast procedure for the calculation of similarity coefficients in automatic
classification." Information Processing and Management, 17, 1981, 53-60.
313.
Bawden, D., Catlow, J.T., Devon, T.K., Dalton, J.M., Lynch, M.F. & Willett, P.
"Evaluation and implementation of topological codes for online compound search and
registration." Journal of Chemical Information and Computer Sciences, 21, 1981, 8386.
314. McGregor, J.J. & Willett, P. "Use of a maximal common subgraph algorithm in the
automatic identification of the ostensible bond changes occurring in chemical
reactions." Journal of Chemical Information and Computer Sciences, 21, 1981, 137140.
315. Barnard, J.M. & Willett, P. "Comments on a method for generating a chemical reaction
index for storage and retrieval of information." Journal of Chemical Information and
Computer Sciences, 21, 1981, 140-141.
316. Lennon, M., Peirce, D.S., Tarry, B.D. & Willett, P. "An evaluation of some conflation
algorithms for information retrieval." Journal of Information Science, 3, 1981, 177-183.
(***)
317. Willett, P. "The evaluation of an automatically indexed, machine-readable chemical
reactions file." Journal of Chemical Information and Computer Sciences, 20, 1980, 9396.
318. Harding, A.F. & Willett, P. "Indexing exhaustivity and the computation of similarity
matrices." Journal of the American Society for Information Science, 31, 1980, 298300.
319. Willett, P. "Document clustering using an inverted file approach." Journal of
Information Science, 2, 1980, 223-231.
320. Bawden, D., Devon, T.K., Jackson, F.T., Wood, S.I., Lynch, M.F. & Willett, P. "A
qualitative comparison of Wiswesser Line Notation descriptors of reactions and the
Derwent Chemical Reactions Documentation Service."
Journal of Chemical
Information and Computer Sciences, 19, 1979, 90-93.
321. Willett, P. "Computer techniques for the indexing of chemical reaction information."
Journal of Chemical Information and Computer Sciences, 19, 1979, 156-158.
322. Willett, P. "A screen set generation algorithm." Journal of Chemical Information and
Computer Sciences, 19, 1979, 159-162.
323. Gannon, M.T. & Willett, P. "Sampling considerations in the selection of fragment
screens for chemical substructure search systems." Journal of Chemical Information
and Computer Sciences, 19, 1979, 251-253.
324. Willett, P. "The effect of screen set size on retrieval from chemical substructure search
systems." Journal of Chemical Information and Computer Sciences, 19, 1979, 253255.
325. Burnett, J.E., Cooper, D., Lynch, M.F., Willett, P. & Wycherley, M. "Document retrieval
experiments using indexing vocabularies of varying size. I. Variety generation symbols
assigned to the fronts of index terms." Journal of Documentation, 35, 1979, 197-206.
326. Willett, P. "Document retrieval experiments using indexing vocabularies of varying
size. II. Hashing, truncation, digram and trigram encoding of index terms." Journal of
Documentation, 35, 1979, 296-305.
327. Evans, L.A., Lynch, M.F. & Willett, P. "Structural search codes for on-line compound
registration." Journal of Chemical Information and Computer Sciences, 18, 1978, 146149.
328. Lynch, M.F. & Willett, P. "The production of machine-readable descriptions of chemical
reactions using Wiswesser Line Notations." Journal of Chemical Information and
Computer Sciences, 18, 1978, 149-154.
329. Lynch, M.F. & Willett, P. "The automatic detection of chemical reaction sites." Journal
of Chemical Information and Computer Sciences, 18, 1978, 154-159.
330. Willett, P. "The automatic analysis of chemical reaction data." Information Scientist,
11, 1977, 125-135.
Refereed Conference Papers
1.
Read, S., Bath, P. Willett, P. & Maheswaran, R. “A power-enhanced algorithm for
spatial anomaly detection in binary labeled point data using the Spatial Scan Statistic”.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
Proceedings of the 14th International Conference on Knowledge-Based and Intelligent
Information & Engineering Systems, Lecture Notes in Artificial Intelligence, 6277, 2010,
163-172.
Arif, S.M., Hert, J., Holliday, J.D., Malin, N. & Willett, P. “Enhancing the effectiveness
of fingerprint-based virtual screening: use of turbo similarity searching and of
fragment frequencies of occurrence”. Lecture Notes in Bioinformatics, 5780, 2009,
404-414.
Read, S., Bath, P.A., Willett, P. & Maheswaran, R. “A spatial accuracy assessment
of an alternative circular scan method for Kulldorff’s spatial scan statistic.” In:
Fairburn, D. (editor) GISRUK 2009 Proceedings, pp. 57-61. Durham: Durham
University.
Read, S., Willett, P., Bath, P.A. & Maheswaran, R. “The development of metagraphs
for pattern detection in public health data.” In: Bath, P.A., Day, K. & Norris, T. (editors)
Proceedings of 13th International Symposium for Health Information Management
Research. pp 13-23. Auckland: Massey University, 2008.
Pasupa, K., Harrison, R.F. & Willett, P. “Parsimonious kernel Fisher discrimination.”
In: Martí, J., Benedí, J.M., Mendonça, A.M. & Serrat, J. (editors).
Pattern
Recognition and Image Analysis: Third Iberian Conference, IbPRIA 2007. pp. 531538. Berlin: Springer-Verlag, 2007.
Willett, P. “Chemoinformatics techniques for data mining in files of two-dimensional
and three-dimensional chemical molecules.” In: Petitjean, M. (editor). Proceedings of
the Third Conference on the Foundations of Information Science, Paris 4-7 July 2005.
Basel: MDPI At http://www.mdpi.org/fis2005/proceedings.html
Hert, J., Willett, P & Wilton, D.J. “Virtual screening using binary kernel discrimination.”
In: Hicks, M.G. & Kettner, C. (editors). Proceedings of the International Beilstein
Workshop “The Chemical Theatre of Biological Systems”. pp. 119-131. Frankfurt:
Beilstein Institute, 2005.
Willett, P. “Digital libraries in chemistry: Providing access to chemical structure
information.” In: Proceedings of International Symposium on Digital Libraries and
Knowledge Communities in Networked Information Society 2004.
pp. 33-39.
Tsukuba, Japan: University of Tsukuba, 2004.
Willett, P. “Chemoinformatics: an application domain for information retrieval
techniques.” Proceedings of the Twenty Seventh International Conference on
Research and Development in Information Retrieval. p. 393. New York: ACM Press,
2004.
Bath, P.A., Craigs, C., Maheswaran, R., Raymond, J.W. & Willett, P. “Use of graph
theory for data mining in public health.” In: Zanasi, A., Brebbia, C.A., Ebecken, N.F. &
Melli, P. (editors) Data Mining III: Proceedings of the Data Mining 2002 conference.
pp. 819-828. Southampton: WIT Press, 2002.
Bath, P.A., Craigs, C., Maheswaran, R., Raymond, J.W. & Willett, P. “Validation of
graph-theoretical methods for pattern identification in public health datasets”. In: Dowd
C., Eaglestone, B., Bath, P.A. & Procter P. (editors) Proceedings of the 7th
International Symposium on Health Information Management Research. pp. 164-175.
Sheffield: University of Sheffield School of Nursing and Midwifery, 2002.
Gaizauskas, R., Herring, P., Oakes, M., Beaulieu, M., Willett, P., Fowkes, H. &
Jonsson, A. “Intelligent access to text: integrating information extraction technology
into text browsers.” In: Proceedings of Human Language Technology Conference
2001 (HLT 2001), pp. 189-193. San Diego, 2001.
Bayley, M.J., Gillet, V.J., Willett, P., Bradshaw, J. & Green, D.V.S. “Computational
analysis of molecular diversity for drug discovery.” In: Istrail, S., Pevzner, P. &
Waterman, M.S. (editors) Proceedings of the 3rd International Conference on
Computational Molecular Biology. pp. 321-330. New York: Association for Computing
Machinery, 1999.
Ginn, C.M.R., Ranade, S.S., Willett, P. & Bradshaw, J. “The application of data fusion
to similarity searching in chemical databases.” In: Arabnia, H.R. & Zhu, D. (editors)
15.
16.
17.
18.
19.
20.
21.
22.
23.
24.
25.
26.
27.
28.
29.
Proceedings of the International Conference on Multisource-Multisensor Information
Fusion, Fusion’98. pp 307-313. CSREA Press, 1998.
Wild, D.J. & Willett, P. “Field-based similarity searching in databases of threedimensional chemical structures”. In: Collier, H. (editor) Proceedings of the 1997
International Chemical Information Conference. pp. 83-94. Calne: Infonortics, 1997.
Willett, P. “Representing and searching molecular structures”. In: Davies, A.N.,
Bowen, D.V., Cashyap, M.M., Hillhouse, R., Hollerton, J. & Taylor, K. (editors) Linking
and Interpreting Spectra through Molecular Structures. pp. 9-14. Chichester: IM
Publications, 1997.
Greengrass, M., Robertson, A.M., Schinke, R. & Willett, P. "Stemming of Latin text".
In: Proceedings of the 18th BCS IRSG Retrieval Research Colloquium. pp. 81-93.
Manchester: British Computer Society Information Retrieval Specialist Group, 1996.
Kirriemuir, J.W. & Willett, P. "Use of cluster analysis methods for analysing the outputs
of multiple-database searches". In: Collier, M. & Arnold, K. (editors) Proceedings of
the 2nd ELVIRA Conference. pp. 117-127. London: Aslib, 1995.
Ellis, D., Furner-Hines, J. & Willett, P. "Measuring the consistency of assignment of
hypertext links in full-text documents". In: Leon, R. (editor) Information Retrieval. New
Systems and Current Research. pp. 67-80. London: Taylor Graham, 1994.
Ellis, D., Furner-Hines, J. & Willett, P. "On the measurement of inter-linker consistency
and retrieval effectiveness in hypertext databases". In: Croft, W.B. & van Rijsbergen,
C.J. (editors) Proceedings of the Seventeenth International Conference on Research
and Development in Information Retrieval. pp. 51-60. London: Springer Verlag, 1994.
Jones, G., Willett, P. & Glen, R.C. "Genetic algorithms and their application to
problems in chemical-structure handling". In: Collier, H. (editor) Proceedings of the
1994 International Chemical Information Conference. pp. 135-148. Calne: Infonortics,
1994.
Artymiuk, P.J., Grindley, H.M., Mitchell, E.M., Rice, D.W., Ujah, E.C. & Willett, P.
"Representation and searching of 3-D protein structures". In: Warr, W.A. (editor)
Chemical Structures 2. The International Language of Chemistry. pp. 273-292. Berlin:
Springer Verlag, 1993.
Poirrette, A.R. & Willett, P. "Use of angular information in three-dimensional
substructure searching systems". In: Warr, W.A. (editor) Chemical Structures 2. The
International Language of Chemistry. pp. 293-296. Berlin: Springer Verlag, 1993.
Rasmussen, E.M., Wilson, T. & Willett, P. "Chemical structure handling using the
Distributed Array Processor". In: Warr, W.A. (Editor) Chemical Structures 2. The
International Language of Chemistry. pp. 327-341. Berlin: Springer Verlag, 1993.
Pepperrell, C.A. & Willett, P. "Calculation of three-dimensional structural similarity". In:
Warr, W.A. (Editor) Chemical Structures 2. The International Language of Chemistry.
pp. 377-382. Berlin: Springer Verlag, 1993.
Downs, G.M., Poirrette, A.R., Walsh, P. & Willett, P. "Evaluation of similarity searching
methods using activity and toxicity data". In: Warr, W.A. (Editor) Chemical Structures
2. The International Language of Chemistry. pp. 409-421. Berlin: Springer Verlag,
1993.
Robertson, A. M. & Willett, P. "Evaluation of techniques for the conflation of modern
and seventeenth-century English spelling". In: McEnery, T. & Paice, C. (Editors)
Proceedings of the Fourteenth British Computer Society Information Retrieval
Specialist Group Research Colloquium. pp. 155-168. London: Springer Verlag, 1993.
Jones, G., Brown, R.D., Clark, D.E., Willett, P. & Glen, R.C. "Searching databases of
two-dimensional and three-dimensional chemical structures using genetic algorithms".
In: Forrest, S. (editor) Proceedings of the Fifth International Conference on Genetic
Algorithms, pp. 597-602. San Mateo, CA: Morgan Kaufmann, 1993.
Robertson, A.M. & Willett, P. "Searching for historical word-forms in a database of
17th-century English text using spelling-correction methods". Proceedings of the 15th
International Conference on Research and Development in Information Retrieval. pp
256-265. New York: Association for Computing Machinery. 1992.
30.
31.
32.
33.
34.
35.
36.
37.
38.
39.
40.
41.
42.
43.
44.
Robertson, A.M. & Willett, P. "Retrieval techniques for historical English text: searching
the sixteenth and seventeenth century titles in the catalogue of Canterbury Cathedral
Library using spelling-correction methods". Proceedings of the Sixteenth International
Online Information Meeting, pp. 389-398. Oxford: Learned Information, 1992.
Willett, P. "The ranking of paragraphs as an access mechanism for full-text
documents". In: Gillman, P. (Editor) Text Retrieval: Information First. pp. 34-45.
London: Taylor Graham, 1991.
Artymiuk, P.J., Grindley, H.M., Rice, D.W., Ujah, E.C. & Willett, P. "Searching
techniques for the tertiary structures of proteins in the Protein Data Bank". In: Collier,
H. (Editor) Recent Advances in Chemical Information. pp. 91-106. Cambridge: Royal
Society of Chemistry, 1991.
Robertson, A.M., Willett, P., Vickery, A. & Thompson, W. "Comparison of statisticallybased and knowledge-based approaches to information retrieval". In: Rowley, J.
(editor) Information 90. Proceedings of the Third International Conference pp. 282286. London: Aslib, 1991.
Robertson, A.M. & Willett, P. "Digram and trigram matching for the identification of
word variants in historical text databases". In: McEnery, T. (editor) Proceedings of the
Thirteenth British Computer Society Information Retrieval Specialist Group Research
Colloquium on Information Retrieval. pp. 12-21. Lancaster: University of Lancaster,
1991.
Willett, P. "Three-dimensional structure searching". Gesellschaft Deutscher Chemiker.
Fachgruppe Chemie-Information-Computer. Mitteilungsblatt 19. pp. 26-33. Frankfurtam-Main: Gesellschaft Deutscher Chemiker, 1991.
Cringean, J.K., England, R., Manson, G.A. & Willett, P. "Parallel text searching in serial
files using a processor farm". Proceedings of the Thirteenth International Conference
on Research and Development in Information Retrieval. pp. 429-453. Washington:
Association for Computing Machinery. 1990.
Willett, P. "Processing of three-dimensional chemical structure information using
graph-theoretic techniques". In: Proceedings of the Fourteenth International Online
Information Meeting. pp. 115-127. Oxford: Learned Information. 1990.
Rasmussen, E.M. & Willett, P. "Database processing using a highly parallel array
processor". In: Prospects for Intelligent Retrieval. Proceedings of the 10th Informatics
Conference. pp. 185-203. London: Aslib, 1990.
Cringean, J.K., Manson, G.A. & Willett, P. "Using transputers to increase the speed of
document retrieval". In: Prospects for Intelligent Retrieval. Proceedings of the 10th
Informatics Conference. pp. 315-322. London: Aslib, 1990.
Cringean, J.K., Manson, G.A. & Willett, P. "Experiments with transputers for text
retrieval". In: Proceedings of the Twelfth British Computer Society Information
Retrieval Specialist Group Research Colloquium on Information Retrieval. pp. 63-73.
London: British Computer Society, 1990.
Cringean, J.K., Lynch, M.F., Manson, G.A., Willett, P. & Wilson, G.A. "Parallel
processing techniques for information retrieval. Searching of textual and chemical
databases using transputer networks". In: Proceedings of the Thirteenth International
Online Information Meeting pp. 447-462. Oxford: Learned Information, 1989.
Cringean, J.K., Manson, G.A. & Willett, P. "The use of transputers for parallel
processing in information retrieval". In: Proceedings of the Eleventh British Computer
Society Information Retrieval Specialist Group Research Colloquium on Information
Retrieval. pp. 302-210. London: British Computer Society, 1989.
Grindley, H.M., Lynch, M.F., Manson, G.A., Rasmussen, E.M., Willett, P., Wilson, G.A.
& Wilson, T. "Processing of chemical structure databases using parallel computer
hardware". In: Collier, H. (Editor) Proceedings of the 1989 International Chemical
Information Conference. pp. 253-269. Berlin: Springer Verlag, 1989.
Brint, A.T., Mitchell, E.M. & Willett, P. "Substructure searching in files of threedimensional chemical structures." In: Warr, W.E. (editor) Chemical Structures. The
International Language of Chemistry. pp. 131-144. Berlin: Springer Verlag, 1988.
45.
Al-Hawamdeh, S., Ellis, D., Mohan, K.C., Wade, S.J. & Willett, P. "Best match
document retrieval: development and use of INSTRUCT." Proceedings of the Twelfth
International Online Information Meeting, pp. 761-777. Oxford: Learned Information,
1988.
46.
Rasmussen, E.M. & Willett, P. "Non-hierarchic document clustering using the ICL
Distributed Array Processor." Proceedings of the 10th International Conference on
Research and Development in Information Retrieval. pp 132-139. Washington:
Association for Computing Machinery. 1987.
47.
Willett, P. "Effectiveness of retrieval in clustered document files." Proceedings of the
Eleventh International Online Information Meeting. pp 137-146. Oxford: Learned
Information, 1987.
48.
El-Hamdouchi, A. & Willett, P. "Hierarchic document clustering using Ward's method."
Proceedings of the 9th International Conference on Research and Development in
Information Retrieval. pp 149-156. Washington: Association for Computing Machinery,
1986.
49.
Willett, P. "Ranked output searching in textual and structural data bases." Proceedings
of the 9th International Online Information Meeting. pp. 343-353. Oxford: Learned
Information, 1985.
Non-Refereed Abstracts, Reports & other Publications
1.
Bajorath, J., Barreca, M.L., Bender, A., Bryce, R., Hutter, M., Laggner, C., Laughton, C.,
Martin, Y., Mitchell, J., Padova, A., Renner, S., Selzer, P.M., Sherman, W., Sippl, W.,
Taft, C., Tuccinardi, T., Vistoli, G. & Willett, P. “Ask the experts: focus on computational
chemistry.” Future Medicinal Chemistry, 3, 2011, 909-921.
2.
Willett, P. (Editor). Special issue of Aslib Proceedings: “The Information School at the
University of Sheffield”. Aslib Proceedings, 63, 2011, 127-335.
3.
Li, J. & Willett, P. “Comments on “On bibliometric analysis of Chinese research on
cyclization, MALDI-TOF and antibiotics: Methodological concerns”.” Journal of Chemical
Information and Modeling, 51, 2011, 3.
4.
Garland, R. & Willett, P. “We want you back.” Public Library Journal, 24(2), 2009, 1921, 25.
5.
Willett, P. & Robertson, S.E. “In memoriam: Karen Sparck Jones.” Journal of
Information Science, 33, 2007, 637-639. Also in Journal of Documentation, 63, 2007,
605-608.
6.
Stock, E. & Willett, P. “Positively ageing.” Public Library Journal, 22(2), 2007, 26-29.
7.
Willett, P. “Education for chemoinformatics.”
Proceedings of the Workshop
Chemoinformatics in Europe: Research and Teaching Obernai, France, 29 May-1
June 2006 at http://infochim.u-strasbg.fr/chemoinformatics/Teaching.php
8.
Gardiner, E.J., Willett, P., & Artymiuk, P.J. “Use of wavelets to compress threedimensional protein maps.” In: Barber, S., Baxter, P.D., Mardia, K.V. & Walls, R.E.
(editors). Quantitative Biology, Shape Analysis, and Wavelets. pp. 129-131. Leeds:
Leeds University Press, 2005.
9.
Willett, P. “Similarity-based approaches to virtual screening.” Biochemical Society
Transactions, 31, 2003, 603-606.
10.
Bath, P.A., Gillet, V.J. & Willett, P. “New courses for a developing marketplace”.
Library and Information Update, 2(6), 2003, 46-47.
11.
Willett, P. “Forty years on: the Department of Information Studies at the University of
Sheffield.”
Chemical Structure Association Trust Newsletter, 4, 2003, at
http://www.csa-trust.org/Webshed.
12.
Willett, P. (Editor) “Special issue in honour of the 40th anniversary of the founding of
the Department of Information Studies at the University of Sheffield.” Journal of
Information Science, 29, 2003, 237-330.
13.
Willett, P. “Combinatorial libraries and the evaluation of diversity”. Pharmaceutical
News, 9, 2002, 189-194.
14.
Willett, P. (Editor) “Special issue in honour of Michael F. Lynch.” Journal of
Documentation, 54, 1998, 1-120.
15.
16.
17.
18.
19.
20.
21.
22.
23.
24.
25.
26.
27.
28.
29.
30.
31.
32.
33.
34.
Willett, P. “Michael Lynch: an appreciation”. Journal of Documentation, 54, 1998, 1-14.
Willett, P. “Combinatorial optimisation using genetic algorithms”. In: Ernesti, A.,
Hutson, J.M., & Wright, N.J. (editors) Fashioning a Model: Optimization Methods in
Chemical Physics. pp. 35-40. Daresbury: CCP6, 1998.
Willett, P. “Information retrieval research in the University of Sheffield”. ACM SIGIR
Forum. 31(2), 1997, 7-13.
Willett, P. (Editor) Special issue on “Computational methods for the analysis of
molecular diversity.” Perspectives in Drug Discovery and Design, 7/8, 1997, 1-180.
O'Rourke, A. J., Robertson, A.M., Willett, P., Eley, P. & Simons, P. “Word variant
identification in Old French".
Information Research, 2(4), 1996 at
http://informationr.net/ir/2-4/paper22.html
Willett, P. “Molecular diversity techniques for chemical databases”. Information
Research News, 2(3), 1996 at http://informationr.net/ir/2-3/paper19.html.
Willett, P. (and 13 others) "Gerard (Gerry) Salton". Journal of Documentation, 52,
1996, 1-2.
Agosti, M., Beaulieu, M., Frei, H.P., Fuhr, N., Harper, D., Keen, M., Kuhlen, R.,
Roberton, S., Smeaton, A., Sparck Jones, K., van Rijsbergen, K. & Willett, P. “In
memory of Gerard Salton”. Nachrichten fur Dokumentation, 47, 1996, 57-58.
Ekmekcioglu, F.C., Lynch, M.F. & Willett, P. “Stemming and n-gram matching for term
conflation in Turkish texts”.
Information Research News, 2(2), 1996 at
http://informationr.net/ir/2-2/paper13.html
Greengrass, M., Robertson, A.M., Schinke, R. & Willett, P. "Processing morphological
variants in searches of Latin text". Information Research News, 2(1), 1996 at
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