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Charles Davis and Gary Wiggins Indiana University

This survey from Indiana University explores the educational background and employment status of chemistry librarians and chemical information specialists. It includes information on undergraduate majors, degrees, and employment sectors, as well as reasons for entering the field and an overview of computational chemistry, molecular biology, and bioinformatics units. The survey also discusses the impact of chemoinformatics on drug discovery and highlights the use of informatics techniques and productivity applications in the field. Efforts to create a chemical informatics program at IU are also outlined.

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Charles Davis and Gary Wiggins Indiana University

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  1. Education of Chemistry Librarians and Chemical Information Specialists in the Age of Informatics Charles Davis and Gary Wiggins Indiana University

  2. 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

  3. Undergraduate Majors • Chemistry 45 + 5 joint degrees = 50 • Biology/Biochemistry 7 • Chemical Engineering 3 • Other 10

  4. Undergraduate Minors • English 3 • Other 1 each • Comparative Literature • French/Political Science • Mathematics • Microbiology • Physics • Technical Writing • Zoology

  5. Undergraduate Degrees • ACS Accredited Degrees 25 • Non-accredited 10 (8 BA, 2 BS) • Non-U.S. degrees 10 • No response 5

  6. Master’s Degrees • Chemistry 17 • MLS 45 • Other 1 each • Natural Sciences • Translator – MBA • Environmental Studies • Physics (with MLS) • None 17

  7. Ph.D. Degrees • Chemistry 16 • Biochemistry 2 • Chemical Engineering 2 • None 51

  8. Employment • Academic 33 • Industry 27 • Government 3 • CAS, Non-profit (2), Private sector, Self-employed, Retired, Library contractor (unemployed) (1 each unless noted)

  9. 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

  10. Reasons for Entering Chemical Information Field • Influenced by Employer 8 • Application of Computer Aptitude/ Skills 4 • More Career Opportunities 4 • Experience in Publishing/ Database Work 4

  11. 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

  12. Reasons for Entering Chemical Information Field • Interaction With Other People 1 • Realized Impact of CIS on Research 1 • Remuneration 1 • Suited Temperament Better 1

  13. Computational Chemistry, Molecular Biology, Bioinformatics Units • Industry 16 (7 joint) • Academic 6 (2 joint) • Other 2

  14. (Chemical) Informatics: What is it? • Web of Science (1987-): “I” word 1195 • as of 6/20/99 • WoS: “bioinformatics” 243 • WoS:“cheminformatics,” etc. 10 • CHMINF-L (5/91-): “informatics” 76 • SciFinder Scholar (1987-) 1197 • 2179 references (1967-) • 207,809 refs for “informatics”!!!

  15. 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

  16. 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:0951-4198. 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

  17. Major Topics in Chemical Informatics • Productivity applications: • Web-based chemical information workspace • Informatics techniques: • Sequential comparisons and Z-series distributions • Simulation: • Molecular modeling

  18. Productivity Applications • Integrated Chemical Information Systems • LIMS (Laboratory Information Management Systems) • Facilitate the collection/storage of and access to essential information

  19. Informatics Techniques • Computational Chemistry • Analysis and correlation of data from massive databanks • Artificial Intelligence • Neural Networks • Combinatorial Chemistry

  20. 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.

  21. 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

  22. 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

  23. 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

  24. Representative Core Courses • Information infrastructure • Information representation • Mathematical foundations • Social informatics • Organizational informatics • Human Computer Interaction • Dist’d Systems & Collaborative Comput.

  25. 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

  26. Proposed Master of Science Graduate Programs • Health Informatics • Bioinformatics • Chemical Informatics • Human Computer Interaction

  27. Proposed Graduate Courses • Introduction to Informatics • Information Management • Chemical Information Technology • Chemical Informatics Techniques and Methods • Seminar in Chemical Informatics • Applied Molecular Modeling

  28. 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

  29. Will it happen??? • As the atom that lost an electron said to another atom: I’m positive!

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