Method and apparatus for automated design of chemical synthesis routes
US6571226B1 · kind B1 · utility
Assignee
Inventors
Key dates
| Filing date | Mar 10, 2000 |
| Grant date | May 27, 2003 |
| Priority date | — |
| Expiry date | Mar 10, 2020 |
Classification
- Technology area (CPC C)Chemistry; Metallurgy
- CPC primaryC40B40/00
- WIPO fieldOrganic fine chemistry
- WIPO sectorChemistry
Abstract
Method and apparatus for designing a synthesis route for a target molecule is provided. The method for designing a synthesis route for a target molecule comprises: generating a plurality of individuals, wherein each individual encodes a synthesis route; decoding each individual to produce a synthesis route comprising at least one reactant molecules and at least one reaction; and determining how well the synthesis route satisfies a design goal. A computer readable medium containing instructions for a computer program executable by the computer to perform a method for designing a synthesis route for a target molecule is also provided. The apparatus comprises a parallel computer system for executing instructions of a computer program to perform a method for designing a synthesis route for a target molecule.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.