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Chemical Information and Chemical Informatics Literacy at a Research University

This abstract discusses the chemical information and informatics courses offered by the Department of Chemistry at Indiana University. It covers the methodology, software, and costs involved, as well as the programs and courses available. Various tools and databases are also mentioned.

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Chemical Information and Chemical Informatics Literacy at a Research University

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  1. Chemical Information and Chemical Informatics Literacy at a Research University Gary Wiggins Chemistry Library Indiana University

  2. Abstract The Department of Chemistry at Indiana University offers four one-hour chemical information or chemical informatics courses on the undergraduate level and two three-hour courses on the graduate level. Most of the courses have been taught via teleconferencing across two campuses during the past two years, with some lectures delivered from England in one graduate course. A mix of free and commercial software and databases is used in the courses. Methodology, software, and cost figures will be presented.

  3. Special Programs at IU • MLS or MIS Programs with Specialization in Chemical Information (SLIS) • SLIS Graduates: http://www.indiana.edu/~cheminfo/informatics/mls_mis_grads1.html • BS and MS Programs in Chemical Informatics (with PhD on the way) http://www.informatics.indiana.edu/academics/degrees.asp

  4. Undergraduate Courses • Four one-credit undergrad courses • C371 Chemical Informatics • C372 Molecular Modeling • C471 Chemical Information Sources and Services • C472 Computer Sources for Chemical Information

  5. Graduate Courses • Two three-credit graduate courses • C571 Chemical Information Technology • C572 Molecular Modeling & Computational Chemistry

  6. Course Enrollments

  7. Also Polycom Participants

  8. Instructors • My role in the programs • Director, Programs in Bioinformatics and Chemical Informatics (School of Informatics) • Head, Chemistry Library • New faculty member: Mu-Hyun Baik • IUPUI: Kenny Lipkowitz, Sam Milosevich, Doug Perry (Laboratory Informatics) • Visiting faculty, Adjuncts: Kevin Gilbert, John Barnard, Bill Milne, John McKelvey (IUPUI) • Guest lecturers: Guenter Grethe, others • Bioinformatics: Sun Kim, Jeffrey Huang (IUPUI)

  9. Methodology • Much material on the Web • Lots of hands-on experience with both printed and electronic tools • Emphasis on re-use of data retrieved without re-keying • Emphasis on understanding the content and coverage of the tools and selecting the right tool(s)

  10. Options for CA Searching • SciFinder Scholar (C471) • STN on the Web (C472) • STN Express with Discover! • STN Easy • CA Student Edition (OCLC)

  11. Minerva CrossFire License • Beilstein CrossFire plus Reactions • Gmelin

  12. Other Tools • Cambridge Structural Database • Specialized Reaction Databases • EROS • SPRESI • Organic Syntheses (FREE!)

  13. Other “Free” Tools Used • ChemFinder • NIST Chemistry WebBook • ChemSketch and ISIS/Draw • Many Web sites, e.g. PubMed, ChemIDplus, esp@cenet, EPA Chemical Registry System, etc. • EndNote, ProCite, Reference Manager (campus license) • Microsoft NetMeeting and Excel (campus license) • Daylight software (campus license)

  14. CAS Academic Program • Access after 5:00 PM and on weekends • Learning files for CA and Registry databases • Deep discounts on usage: 80% for PhD-granting institution; 90% for non-PhD • Limited Databases: CA, CAOLD, Registry, CIN and Learning Files (including LCA, LREGISTRY, LCASREACT, and LMARPAT) • Requires print CA subscription

  15. C472 STN Search Costs(Academic Program)

  16. Costs of Other Tools(FY 2002/2003)

  17. Costs of Other Tools(FY 2003/2004)

  18. Wish List • MDL Mentor Program: $20,000 (?) • Science of Synthesis: $????? • Spectral Databases: $??????

  19. Chemical Information Literacy-- • Is it affordable? • It MUST be!

  20. Thanks to Graduate Fellowship Sponsors: • Daylight Chemical Information Systems • MDL Information Systems

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