VERFAHREN,VORRICHTUNG UND PROGRAMM ZUR SYNTHESEBASIERTEN SIMULATION VON CHEMIKALIEN MIT BIOLOGISCHEN FUNKTIONEN

摘要

This invention provides a computer-executed method and means for simulating chemical synthesis. The invention concerns the simulation, by a programmed general purpose digital computer, of chemicals that have biological functions, and more specifically, concerns computer-implemented simulation of such chemicals based upon their synthesis and their assayed biological activity.