Chemical Informatics Program
Status Report
April 11, 2005
GRADUATE PROGRAMS
Undergraduate cognate in chemistry
MS in Chemical Informatics
 Laboratory Informatics Track at IUPUI
PhD in Chemical Informatics
CHEMICAL INFORMATICS COURSES
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I371 Chemical Informatics
C372 Molecular Modeling
I571 Chemical Information Technology
C572 Computational Chemistry and Molecular Modeling
I590 Topics in Informatics
o Information Retrieval from Chemistry and Life Sciences Databases
o Information Theory
o Programming for Chemical Informatics
Recent course revisions resulting from discussions with Martha Oakley:
 The molecular modeling courses C372 and C572 are to remain in Chemistry, but
Informatics will develop separate IXXX course numbers to match these. The
courses will be jointly listed when they are offered. The course description for
C372 and its Informatics counterpart will be revised in light of the description that
the lead IUB and IUPUI Chemistry instructors have agreed upon.
 C471 and C472 are to be dropped from the Chemistry curriculum. Informatics
will develop a graduate-level course that will cover the database content of these
courses.
 C371 and C571 (introductory undergraduate and graduate chemical informatics
courses) are to be dropped from the Chemistry offerings, but will be reconstituted as Informatics courses.
FACULTY
Tenure-track faculty:
 Mu-Hyun Baik (IUB)
 Samuel A. F. Milosevich (IUPUI: leaving by May 31, 2005)
Visiting or clinical faculty
David J. Wild (Wild Ideas Consulting)
Kelsey Forsythe (IUPUI Department of Chemistry; appointment pending)
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Adjunct Professors, IUB
 Dimitris Agrafiotis (J&J Pharmaceutical Research and Development
 John M. Barnard (Barnard Chemical Information, Ltd)
 David Clemmer (Indiana University Department of Chemistry)
 Gary M. Hieftje (Indiana University Department of Chemistry)
 John C. Huffman (Indiana University Department of Chemistry)
 John M. McKelvey (McKelvey Computational Chemistry)
 Peter Ortoleva (Indiana University Department of Chemistry)
 Gary Wiggins (Indiana University School of Informatics)
Adjunct Professor, IUPUI
 Thompson N. Doman (Eli Lilly)
Post-Doc, IUB
 Marco Fiorini (Mu-Hyun Baik)
STUDENTS
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MS graduates: 4
MS currently enrolled: 9 (7 at IUPUI)
o Laboratory Informatics: 14 currently enrolled at IUPUI)
Student Recruitment Efforts
 $15,000 fellowships obtained from MDL Information Systems and Daylight
Chemical Information Systems
 Two summer students for Mu-Hyun Baik (Summer 2004)
 Article on cheminformatics as a career in in Chemistry (American Chemical
Society Student Affiliates magazine)
 Participation in graduate recruiting fairs: Purdue University Grad Expo, ACS San
Diego National Meeting (and planned for ACS Washington National Meeting)
 Production and mailing of brochures to chemistry undergraduate advisers
 Distribution of brochures at major national and international conferences
(Biennial Conference on Chemical Education, 3rd Sheffield Conference on
Cheminformatics; ACS national meetings)
GRANTS:
 NIH Exploratory Center for Cheminformatics Research (pending)
 In-silico Screening for Biothreat Countermeasures (IUB subcontract for
Department of Defense SBIR grant: pending)
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SCIENCE INFORMATICS ADVISORY BOARD
Recruitment of Science Informatics Advisory Board Members with strong chemistry
connections:
 Malorye Branca (Editor, Bio-IT World)
 Jeremy Frey (University of Southampton)
 Vance Kershner (LabWare)
 Caroline Kovac (IBM Healthcare and Life Sciences)
 Rudy Potenzone (Ingenuity)
 Lura Powell (Advanced Imaging Technologies)
 John Reynders (Lilly)
 Rick Roberts (Pfizer)
 Ray Salemme (LinguGen)
 Mick Savage (Consultant)
 Mary Jo Zaborowski (Roche Pharmaceuticals)
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