With millions of compounds available for screening and thousands of gene products as
potential targets for therapeutic intervention, high-throughput screening (HTS) requires extensive libraries and automated screening systems to discover adequate leads for drug development. This can become expensive, and in recent years has proven minimally effective. Virtual screening uses computational tools to identify biologically active molecules against specific targets. By pre-qualifying compounds for testing, this method reduces costs and increases hit rates by eliminating the need for
robotics, reagent
acquisition or production, and compound storage facilities. This text explores the algorithms…
This is the best book I have ever seen on virtual screening in drug discovery. Absolutely outstanding. A must read for anyone interested in the field.… This book has everything you could ever hope for in a book on screening and drug discovery. I think it could have used more pictures though. And some of the chemistry parts were confusing. And the…
