Applications of machine learning and computational intelligence to drug discovery and development

Abstract In silico modeling of ADMET property models with QSAR and QSPR models has proven to be an effective approach for increasing the efficiency of small molecule drug discovery and development processes. Development of new, improved models and techniques is currently an active area of research. In recent years, there has been growing interest in adapting tools and techniques from the fields of computational intelligence and machine learning for use in drug discovery and development. This report reviews some of the more popular applications. Drug Dev Res 72: 53–65, 2011. © 2010 Wiley‐Liss, Inc.