title: Designing molecules with specific properties from intercommunicating hybrid systems.
abstract: 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.
authors.affiliation: CTIS, Lyon, France.
authors.forename: J
authors.initials: J
authors.lastname: Devillers
mesh_terms: D000465:Algorithms; D001673:Biodegradation, Environmental; D003201:Computers; D015195:Drug Design; D008954:Models, Biological; D016571:Neural Networks, Computer; D013329:Structure-Activity Relationship