Before revision: An essential step in the discovery of new drugs and materials is the synthesis of a molecule that exists so far only as an idea to test its biological and physical properties. While computer-aided design of virtual molecules has made large progress , computer-assisted synthesis planning (CASP) to realize physical molecules is still in its infancy and lacks a performance level that would enable large-scale molecule discovery.
After revision: An essential step in the discovery of new drugs and materials . To find such routes , computer-assisted synthesis planning (CASP) to realize physical molecules is still in its infancy and lacks a performance level that would enable large-scale molecule discovery.