Integration of Virtual Screening into the Drug Discovery Process
Darin Chin, Claudio E. Chuaqui, Joginder Singh · Mini-Reviews in Medicinal Chemistry · 2004
Advances in high-throughput virtual screening using docking, predictive ADME methods and their integration with informatics and high-performance computing are reviewed. Docking approaches have led to the identification of novel active compounds. Predictive ADME methods have improved on selective test sets with broader training sets, though extensive validation is lacking.