The book provides a general introduction to advanced computational techniques applied in various stages of drug discovery. In particular, it focuses on molecular modeling, ligand- and structure-based drug design methods, and data mining in chemical informatics. Application side of this book deals with the development of the first structure-based three-dimensional quantitative structure-activity relationship (3D-QSAR) model of butyrylcholinesterase - a putative drug target for the treatment of Alzheimers disease. The other part is comprised of detailed work conducted on 5-HT2C agonists. It...
The book provides a general introduction to advanced computational techniques applied in various stages of drug discovery. In particular, it focuses o...
