By Jürgen Bajorath
Chemoinformatics ideas to enhance drug discovery results
With contributions from major researchers in academia and the pharmaceutical in addition to specialists from the software program undefined, this e-book explains how chemoinformatics complements drug discovery and pharmaceutical learn efforts, describing what works and what does not. robust emphasis is wear confirmed and confirmed sensible purposes, with lots of case reviews detailing the advance and implementation of chemoinformatics the right way to help profitable drug discovery efforts. lots of those case reviews depict groundbreaking collaborations among academia and the pharmaceutical industry.
Chemoinformatics for Drug Discovery is logically geared up, providing readers a fantastic base in equipment and types and advancing to drug discovery functions and the layout of chemoinformatics infrastructures. The publication beneficial properties 15 chapters, including:
- What are our versions particularly telling us? a realistic instructional on heading off universal blunders whilst construction predictive models
- Exploration of structure-activity relationships and move of key parts in lead optimization
- Collaborations among academia and pharma
- Applications of chemoinformatics in pharmaceutical research—experiences at huge foreign pharmaceutical companies
- Lessons realized from 30 years of constructing winning built-in chemoinformatic systems
Throughout the publication, the authors current chemoinformatics concepts and techniques which have been confirmed to paintings in pharmaceutical study, delivering insights culled from their very own investigations. each one bankruptcy is widely referenced with citations to unique study stories and reviews.
Integrating chemistry, desktop technological know-how, and drug discovery, Chemoinformatics for Drug Discovery encapsulates the sphere because it stands this day and opens the door to extra advances.
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Extra info for Chemoinformatics for Drug Discovery
Chemoinformatics for Drug Discovery by Jürgen Bajorath