By Jürgen Bajorath
Chemoinformatics innovations to enhance drug discovery results
With contributions from top researchers in academia and the pharmaceutical in addition to specialists from the software program undefined, this ebook explains how chemoinformatics complements drug discovery and pharmaceutical study efforts, describing what works and what does not. robust emphasis is wear verified and confirmed functional functions, with lots of case reports detailing the improvement and implementation of chemoinformatics ways to aid winning drug discovery efforts. lots of those case stories depict groundbreaking collaborations among academia and the pharmaceutical industry.
Chemoinformatics for Drug Discovery is logically equipped, providing readers a pretty good base in equipment and types and advancing to drug discovery functions and the layout of chemoinformatics infrastructures. The e-book positive aspects 15 chapters, including:
- What are our versions particularly telling us? a pragmatic educational on fending 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 profitable built-in chemoinformatic systems
Throughout the ebook, the authors current chemoinformatics suggestions and techniques which have been confirmed to paintings in pharmaceutical study, supplying insights culled from their very own investigations. each one bankruptcy is greatly referenced with citations to unique study stories and reviews.
Integrating chemistry, computing device technology, and drug discovery, Chemoinformatics for Drug Discovery encapsulates the sphere because it stands this present day and opens the door to additional advances.
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Extra resources for Chemoinformatics for Drug Discovery
Chemoinformatics for Drug Discovery by Jürgen Bajorath