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Nov 27, 2024
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2020-2022 Undergraduate and Graduate Bulletin (without addenda) [ARCHIVED CATALOG]
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BI-GY 7563 Chemoinformatics3 Credits
This course features a review of database theory; chemical structure representation; connection tables, line notations and structure diagrams; representations of chemical reactions; structure manipulation: graph theory, structure analysis: ring perception, structural fingerprints, symmetry perception, molecular modeling algorithms, genetic algorithms, simulated annealing, QSAR historical approaches, structural search of chemical databases, commercial chemical information databases, combinatorial chemistry and diversity assessment.
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