System, method, and computer program for at least partially automatically generating chemical compounds having desired properties
US5684711A · kind A · utility
Assignee
Inventors
Key dates
| Filing date | Aug 15, 1996 |
| Grant date | Nov 4, 1997 |
| Priority date | — |
| Expiry date | Aug 15, 2016 |
Classification
- Technology area (CPC Y)Emerging Cross-Sectional Technologies
- CPC primaryY10T436/11
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
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.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.