What is Chemical Informatics? Gary wiggins Forum on Informatics IUB Libraries April 5, 1999
Today’s Goals Comparison to existing IUB programs Definition of chemical informatics Plans for a future program Demonstration of a few chemical informatics tools
Existing IUB Programs MLS-MIS Chemical Information Specialist Program in SLIS A few chemical information courses (3 hours total) Some opportunity to work in the Chemistry Library MS in Computer Science
What is Chemical Informatics? Chemoinformatics or cheminformatics or chemical informatics? Focus on the chemical and physical properties of molecules and data mining Unique search keys Chemical nomenclature Chemical structures Enormous volume of chemical information
Size of the Chemical Literature Abstracts in CA 1907-1998: 18.3 million online 1967-98: 15.35 million (84%) Substances registered 1965-98: 18.9 million Pre-1965: 212 thousand
How to Cope with So Much Stuff Employment of visualization tools Data mining and property prediction New retrieval tools CAS’s SciFinder and SciFinder Scholar NIST Chemistry WebBook Integrated chemical information systems "Chemical information storage and retrieval systems should allow [one] to specify both the constitutional and the stereochemical features of the chemical structures for which the associated information is to be entered or sought." -- A. Dietz, J.Chem.Inf.Comput.Sci. 1995, 35, 787.
Plans for the New Program New undergraduate and graduate courses Enlist existing faculty/staff to teach Seek external financial support Recruit experts in the field to serve as adjunct faculty Develop cooperative research programs FOR MORE INFO... http://www.indiana.edu/~cheminfo/informatics/cinformhome.html
Chemical Informatics: Doorway to New Careers