Designing molecules with specific properties from intercommunicating hybrid systems.
The concept that computers can be creative in designing new molecules is now being actively explored. Our work has been aimed at developing an intercommunicating hybrid system using a genetic algorithm and a backpropagation neural network model for solving the general problem of designing molecules with specific properties. A case study dealing with biodegradation modeling is presented. The usefulness of the intercommunicating hybrid systems in QSAR and drug design is emphasized.
Devillers
J
J
CTIS, Lyon, France.
D000465:Algorithms; D001673:Biodegradation, Environmental; D003201:Computers; D015195:Drug Design; D008954:Models, Biological; D016571:Neural Networks, Computer; D013329:Structure-Activity Relationship