Applications of soft computing in drug design

Abstract

This review examines the role of soft computing methods such as artificial neural networks (ANNs), genetic algorithms (GAs), fuzzy logic (FL), chaos, fractals and cellular automata (CA) and their hybrids in the field of drug design. They have been found to be useful in a wide variety of areas including quantitative structure-activity relationship (QSAR), quantitative structure-property relationship (QSPR), variable selection, conformation searching, receptor docking, pharmacophore development, molecular design, combinatorial libraries, surface phenomena, kinetics and complex system studies. Based upon the studies examined, the use of soft computing techniques is likely to grow significantly in the future.

• artificial intelligence
• artificial neural networks
• cellular automata
• chaos
• drug design
• fractals
• fuzzy logic
• genetic algorithms
• molecular modelling
• QSAR
• soft computing