COMP 7 |
| Alexander Strizhev, Robert D. Clark, Edmond Abrahamian, and Philippa R.N. Wolohan. Tripos, Inc, 1699 South Hanley Road, St. Louis, MO 63144 |
| This presentation discusses conformational Genetic Algorithms. The conventional Gray Coding of torsional angles of molecules in pharmacophore elucidation tool GASP was substituted with a Biased Gray Coding (BGC). BGC explores torsional angles of molecules close to certain predetermined values where one is at better odds of finding a good solution. Results of GASP with BGC are compared with conventional GASP Gray Coding results. |
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Computers in Chemistry General
8:20 AM-12:20 PM, Sunday, August 22, 2004 Pennsylvania Convention Center -- 104A&B, Oral
Division of Computers in Chemistry |