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Charles Davis and Gary Wiggins Indiana University

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

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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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