Computational method for designing chemical structures having common functional characteristics
US5699268A · kind A · utility
15Cited by
2References
52Claims
0Family size
Assignee
Inventor
Key dates
| Filing date | Jun 7, 1995 |
| Grant date | Dec 16, 1997 |
| Priority date | — |
| Expiry date | Jun 7, 2015 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B20/00
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
The present invention relates to computational methods for designing chemical structures sharing common useful, functional properties based on specific combinations of steric configuration and binding affinity. More particularly the present invention provides a method for producing computer-simulated receptors which functionally mimic biological receptors. The simulated receptors are designed to exhibit optimized selective affinity for known target molecules. Chemical structures are then generated and evolved to exhibit selective affinity for the simulated receptors.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.