Computational method for designing chemical structures having common functional characteristics
US6219622A · kind A · utility
16Cited by
1References
9Claims
0Family size
Assignee
Inventor
Key dates
| Filing date | Dec 16, 1997 |
| Grant date | Apr 17, 2001 |
| Priority date | — |
| Expiry date | Dec 16, 2017 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B15/00
- WIPO fieldBiotechnology
- WIPO sectorChemistry
Abstract
The present invention related 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.