Designing Molecules with Specific Properties from Intercommunicating Hybrid Systems
James Devillers · Journal of Chemical Information and Computer Sciences · 1996
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.