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New York University Tandon School of Engineering    
  Feb 20, 2018
2016-2018 Undergraduate and Graduate Bulletin (with addenda)
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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.

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