BI-GY 7563 Chemoinformatics

3 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.