DESIGN OF MOLECULES |
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| 申请号 | PCT/GB2010051940 | 申请日 | 2010-11-22 | 公开(公告)号 | WO2011061548A3 | 公开(公告)日 | 2011-08-11 |
| 申请人 | UNIV DUNDEE; HOPKINS ANDREW LEE; BESNARD JEREMY; | 发明人 | HOPKINS ANDREW LEE; BESNARD JEREMY; | ||||
| 摘要 | A method for computational drug design using an evolutionary algorithm, comprises evaluating virtual molecules according to vector distance (VD) to at least one achievement objective that defines a desired ideal molecule. In one method the invention comprises defining a set of n achievement objectives (OA 1-n), where n is at least one; defining a population (PG=0) of at least one molecule; selecting an initial population (Pparent) of at least one molecule (I1-In) from the population (PG=0); and evaluating members (I1-In) of the initial population (Pparent) against at least one of the n achievement objectives (OA 1-x), where x is from 1 to n. | ||||||
| 权利要求 | |||||||
| 说明书全文 | |||||||
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