Computational Medicinal Chemistry Set

Modern drug discovery still relies heavily on random screening and empirical screening cascades to identify leads. As such, the process suffers high failure rates and escalating costs. Computational and quantitative approaches hold the promise of shifting the balance of success.

The books in this set provide the latest information on harnessing quantitative and computational methods for analysis, prediction and optimisation. Topics covered include structure based design, molecular modelling, simulation and statistical models.

The set will not only be an essential reference, but also a source of inspiration for professionals in the pharmaceutical industry, and graduates interested in molecular interactions and drug discovery.