Education of Chemistry Librarians
and Chemical Information
Specialists in the Age of Informatics
Charles Davis
and
Gary Wiggins
Indiana University
Survey on CHMINF-L, March
1999
 Approximately
1,000 recipients
• Many not information specialists or
librarians
 71
responses
 Most replied by e-mail
 None chose to be anonymous
Undergraduate Majors
 Chemistry
45 + 5 joint degrees =
 Biology/Biochemistry
 Chemical Engineering
 Other
50
7
3
10
Undergraduate Minors
 English
 Other
•
•
•
•
•
•
•
Comparative Literature
French/Political Science
Mathematics
Microbiology
Physics
Technical Writing
Zoology
3
1 each
Undergraduate Degrees
 ACS Accredited
Degrees
 Non-accredited
25
10
(8 BA, 2 BS)
 Non-U.S. degrees
 No response
10
5
Master’s Degrees
 Chemistry
 MLS
 Other
•
•
•
•
17
45
1 each
Natural Sciences
Translator – MBA
Environmental Studies
Physics (with MLS)
 None
17
Ph.D. Degrees
 Chemistry
 Biochemistry
 Chemical
 None
Engineering
16
2
2
51
Employment
 Academic
33
 Industry
27
 Government
3
 CAS, Non-profit (2), Private sector, Selfemployed, Retired, Library contractor
(unemployed) (1 each unless noted)
Reasons for Entering Chemical
Information Field
 Genuine
Enjoyment and Interest in the
Field per se
20
 Wanted to Use Chemistry/Science
Background
19
 Alternative to Laboratory Work
18
 Library Work Appealing/Interesting 14
Reasons for Entering Chemical
Information Field
 Influenced
by Employer
 Application of Computer Aptitude/
Skills
4
 More Career Opportunities
 Experience in Publishing/
Database Work
4
8
4
Reasons for Entering Chemical
Information Field
 Literature
Searching in School
2
 Poor Job Market for Bench/
Research Chemists
2
 Research in Chemical Information 2
 Alternative to Research
1
 Consulting/
Entrepreneurial Opportunity
1
Reasons for Entering Chemical
Information Field
 Interaction
With Other People
 Realized Impact of CIS on Research
 Remuneration
 Suited Temperament Better
1
1
1
1
Computational Chemistry, Molecular
Biology, Bioinformatics Units
 Industry
 Academic
 Other
16
6
2
(7 joint)
(2 joint)
(Chemical) Informatics:
What is it?
 Web
of Science (1987-): “I” word
1195
• as of 6/20/99
 WoS:
“bioinformatics”
 WoS:“cheminformatics,” etc.
 CHMINF-L (5/91-): “informatics”
 SciFinder Scholar (1987-)
• 2179 references (1967-)
• 207,809 refs for “informatics”!!!
243
10
76
1197
A CAPLUS Entry for
Chemoinformatics
Chemoinformatics: what is it and how does it impact drug discovery. Brown, Frank K.
R. W. Johnson Pharmaceutical Research Institute, Raritan, NJ, USA. Annu. Rep. Med.
Chem. (1998), 33 375-384. CODEN: ARMCBI ISSN: 0065-7743. Journal; General
Review written in English. CAN 130:148151 AN 1998:803316 CAPLUS
Abstract A review with 18 refs. (c) 1998 Academic Press.
Indexing -- Section 1-0 (Pharmacology) Section cross-reference(s): 20
Drug design
(chemoinformatics: what is it and how does it impact drug discovery)
Information systems
(chemoinformatics; chemoinformatics: what is it and how does it impact drug discovery)
Supplementary Terms drug discovery chemoinformatics review
Selections from Most Recent
CAPLUS References
Zielesny, A.; Jilge, W. Development of a web-based chemical information
workspace at Bayer: review and perspectives for R&D. Proc. Int. Chem.
Inf. Conf. (1998), 112-119. CODEN: 67SSAV AN 1999:363096 CAPLUS
Roussis, Stilianos G. Exhaustive determination of hydrocarbon compound type
distributions by high resolution mass spectrometry. Rapid Commun.
Mass Spectrom. (1999), 13(11), 1031-1051. CODEN: RCMSEF ISSN:09514198. AN 1999:373482 CAPLUS
Toulhoat, Herve. Usage of the inter(tra)net for molecular modelling: from
fantasy to reality. Proc. Int. Chem. Inf. Conf. (1998), 62-74. CODEN:
67SSAV AN 1999:363092 CAPLUS
Major Topics in Chemical
Informatics
 Productivity
applications:
• Web-based chemical information
workspace
 Informatics
techniques:
• Sequential comparisons and Z-series
distributions
 Simulation:
• Molecular modeling
Productivity Applications
 Integrated
Chemical Information
Systems
 LIMS (Laboratory Information
Management Systems)
 Facilitate the collection/storage of and
access to essential information
Informatics Techniques
 Computational
Chemistry
 Analysis and correlation of data from
massive databanks
 Artificial Intelligence
 Neural Networks
 Combinatorial Chemistry
Simulation
 Molecular
Simulation
 Construction of models of molecular or
electronic structures and their use to
visualize, explain and predict the
behavior of chemicals, materials, or
biological compounds
 Classical mechanics force fields,
minimization algorithms,
dynamics/simulated annealing, etc.
Efforts to Create a Chemical
Informatics Program at IU
 June
1994: Discussion with John
Barnard at 1st NCIS
 1995- : Visits to IU by John Barnard
 September 1996: Survey of
pharmaceutical/chemical companies
and chemical informatics companies
 September 1997: Formation of first
Informatics Committee at IU
1996 Survey of Interest
 Proposed
Chem Informatics Programs:
• several alternatives for degree programs
• possibility of distance education
• multidisciplinary industry/academic
research cooperation
 Result:
• Significant interest from both chemical and
chemical informatics companies
Proposed Courses: School of
Informatics Undergrad Degree
9
core courses in Informatics
 9 additional hours within or outside the
school
 15 hours of Informatics courses taken
from a department/school outside the
School of Informatics
 http://informatics.indiana.edu
Representative Core Courses
 Information
infrastructure
 Information representation
 Mathematical foundations
 Social informatics
 Organizational informatics
 Human Computer Interaction
 Dist’d Systems & Collaborative Comput.
Existing Graduate Program
 Joint
MLS/MIS Chemical Information
Specialist Program
 In existence since 1969
 Requires bachelor’s degree in
chemistry
 Must take 3 existing one-hour chemical
information courses
Proposed Master of Science
Graduate Programs
 Health
Informatics
 Bioinformatics
 Chemical Informatics
 Human Computer Interaction
Proposed Graduate Courses
 Introduction
to Informatics
 Information Management
 Chemical Information Technology
 Chemical Informatics Techniques and
Methods
 Seminar in Chemical Informatics
 Applied Molecular Modeling
Timeline
 June
1999 Approval of the Board of
Trustees
 1999/2000 Approval of the Indiana
Higher Education Commission
 1999/2000 Course development
• NSF Combined Research-Curriculum
Development Program Proposal
 Fall
2000 First courses offered
Will it happen???
 As
the atom that lost an electron said to
another atom:
I’m positive!