Method and apparatus for identification and optimization of bioactive compounds using a neural network
US6587845B1 · kind B1 · utility
Assignee
Inventor
Key dates
| Filing date | Feb 15, 2000 |
| Grant date | Jul 1, 2003 |
| Priority date | — |
| Expiry date | Feb 15, 2020 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/30
- WIPO fieldComputer technology
- WIPO sectorElectrical engineering
Abstract
A computational method for the discovery and design of therapeutically valuable bioactive compounds is presented. The method employed has successfully analyzed enzymatic inhibitors for their chemical properties through the use of a neural network and associated algorithms. This method is an improvement over the current methods of drug discovery which often employs a random search through a large library of synthesized chemical compounds or biological samples for bioactivity related to a specific therapeutic use. This time-consuming process is the most expensive portion of current drug discovery methods. The development of computational methods for the prediction of specific molecular activity will facilitate the design of novel chemotherapeutics or other chemically useful compounds. The novel neural network provided in the current invention is “trained” with the bioactivity of known compounds and then used to predict the bioactivity of unknown compounds.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.