Chemoinformatics approaches to virtual screening

• Main Authors: Varnek, Alexandre, Tropsha, Alex
• Format: eBook Book
• Language: English
• Published: Cambridge RSC Pub 2008; NBN International; Royal Society of Chemistry (RSC); Royal Society of Chemistry, The
• Edition: 1
• Subjects: Analytical Chemistry; Cheminformatics; Chemistry; Chemistry & Chemical Engineering; Chemistry, Pharmaceutical > methods; Combinatorial Chemistry Techniques > methods; Computational Biology > methods; Computer simulation; Computer-Aided Design; Data processing; Design; Drug Discovery > methods; Drugs; High throughput screening (Drug development); Quantitative Structure-Activity Relationship
• ISBN: 9780854041442; 0854041443; 9781847558879; 1847558879

This book is the first monograph that summarizes innovative applications of efficient chemoinformatics approaches towards the goal of screening large chemical libraries. The focus on virtual screening expands chemoinformatics beyond its traditional boundaries as a synthetic and data-analytical area of research towards its recognition as a predictive and decision support scientific discipline. The focus on extending the experiences accumulated in traditional areas of chemoinformatics research such as Quantitative Structure Activity Relationships (QSAR) or chemical similarity searching towards virtual screening make the theme of this monograph essential reading for researchers in the area of computer-aided drug discovery. However, due to its generic data-analytical focus there will be a growing application of chemoinformatics approaches in multiple areas of chemical and biological research such as synthesis planning, nanotechnology, proteomics, physical and analytical chemistry and chemical genomics.