Chemoinformatics for Drug Discovery

Beschreibung

Chemoinformatics strategies to improve drug discoveryresults With contributions from leading researchers in academia and thepharmaceutical industry as well as experts from the softwareindustry, this book explains how chemoinformatics enhances drugdiscovery and pharmaceutical research efforts, describing whatworks and what doesn't. Strong emphasis is put on tested and provenpractical applications, with plenty of case studies detailing thedevelopment and implementation of chemoinformatics methods tosupport successful drug discovery efforts. Many of these casestudies depict groundbreaking collaborations between academia andthe pharmaceutical industry. Chemoinformatics for Drug Discovery is logicallyorganized, offering readers a solid base in methods and models andadvancing to drug discovery applications and the design ofchemoinformatics infrastructures. The book features 15 chapters,including: * What are our models really telling us? A practical tutorial onavoiding common mistakes when building predictive models * Exploration of structure-activity relationships and transfer ofkey elements in lead optimization * Collaborations between academia and pharma * Applications of chemoinformatics in pharmaceuticalresearch--experiences at large international pharmaceuticalcompanies * Lessons learned from 30 years of developing successfulintegrated chemoinformatic systems Throughout the book, the authors present chemoinformaticsstrategies and methods that have been proven to work inpharmaceutical research, offering insights culled from their owninvestigations. Each chapter is extensively referenced withcitations to original research reports and reviews. Integrating chemistry, computer science, and drug discovery,Chemoinformatics for Drug Discovery encapsulates the fieldas it stands today and opens the door to further advances.

Autor*in

Jürgen Bajorath

Themen in »Chemoinformatics for Drug Discovery«

Biochemie u. Chemische Biologie Biochemistry (Chemical Biology) Chemie Chemistry Chemoinformatik Computational Chemistry & Molecular Modeling Computational Chemistry u. Molecular Modeling Drug Discovery & Development Wirkstoffforschung Wirkstoffforschung u. -entwicklung

Stimmen zu »Chemoinformatics for Drug Discovery«

"Overall the book is well written, logically following thelarger storyline and most of the time offering high quality reviews. . . Personally, I enjoyed reading this book and would recommendit as a general introduction to the subject aimed especially forpost-graduate students and non-specialists working in the area ofdrug design, but also for all of those who just want to updatetheir knowledge." (ChemMedChem, 1 June 2014)
()

Details

Link teilen