CHED 37 |
| Through our NIH NCRR INBRE grant (2 P20 RR016472-07) we have developed an undergraduate cheminformatics program utilizing a commercial computational platform to let pre-biological chemistry, pre-med, or pre-pharmacy students, gain valuable experience relating physicochemical properties of drug candidates to physiology. KnowItAll® is a computational platform that houses a suite of tools that links chemical, analytical, chemometric, spectroscopic, biological, and ADME/Tox data, which fit this purpose. Undergraduates are afforded an opportunity to participate at any of the following three stages: (1) Entry level – basic spectroscopy interpretation; (2) Undergraduate research – cheminformatics database building; (3) In-depth research – QSAR analysis. The ease-of-operation; availability of analysis, interpretation, and reporting tools; coupled with the ability to build searchable databases seamlessly integrated within a single user interface; teaches the student to choose the right tool for the right job. |
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Visualization and Learning Chemistry
1:30 PM-4:10 PM, Sunday, April 6, 2008 Hilton New Orleans Riverside -- Melrose, Oral
Division of Chemical Education |