发明授权
US5684711A System, method, and computer program for at least partially
automatically generating chemical compounds having desired properties
失效
用于至少部分地自动产生具有所需性质的化合物的系统，方法和计算机程序
- 专利标题： System, method, and computer program for at least partially automatically generating chemical compounds having desired properties
- 专利标题（中）： 用于至少部分地自动产生具有所需性质的化合物的系统，方法和计算机程序
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申请号： US698246申请日： 1996-08-15
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公开(公告)号： US5684711A公开(公告)日： 1997-11-04
- 发明人: Dimitris K. Agrafiotis , Roger F. Bone , Francis R. Salemme , Richard M. Soll
- 申请人： Dimitris K. Agrafiotis , Roger F. Bone , Francis R. Salemme , Richard M. Soll
- 申请人地址： PA Philadelphia
- 专利权人： 3-Dimensional Pharmaceuticals, Inc.
- 当前专利权人： 3-Dimensional Pharmaceuticals, Inc.
- 当前专利权人地址： PA Philadelphia
- 主分类号： A61K38/55
- IPC分类号： A61K38/55 ; A61P7/02 ; B01J19/00 ; C07B61/00 ; C07K1/04 ; C40B30/02 ; C40B40/10 ; C40B50/02 ; C40B50/08 ; G06F17/50 ; G06F19/00
摘要：
A computer based, iterative process for generating chemical entities with defined physical, chemical and/or bioactive properties. During each iteration of the process, (1) a directed diversity chemical library is robotically generated in accordance with robotic synthesis instructions; (2) the compounds in the directed diversity chemical library are analyzed to identify compounds with the desired properties; (3) structure-property data are used to select compounds to be synthesized in the next iteration; and (4) new robotic synthesis instructions are automatically generated to control the synthesis of the directed diversity chemical library for the next iteration.
公开/授权文献
- US5235798A Method and apparatus for loading wholestalk cut sugar cane 公开/授权日：1993-08-17
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