SYSTEM AND METHOD OF AUTOMATICALLY GENERATING CHEMICAL COMPOUNDS WITH DESIRED PROPERTIES

摘要

A computer-based, iterative process for generating chemical entities with defined physical, chemical and/or bioactive properties. During each iteration of the process, a directed diversity chemical library (208) is robotically generated in accordance with robotic synthesis instructions (204); the compounds in the directed diversity chemical library (208) are analyzed to identify compounds with the desired properties; structure-property data (210) are used to select compounds to be synthesized in the next iteration; and new robotic synthesis instructions are automatically generated to control the synthesis of the directed diversity chemical library (208) for the next iteration.