By Jürgen Bajorath
Chemoinformatics suggestions to enhance drug discovery results
With contributions from best 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 learn efforts, describing what works and what does not. robust emphasis is wear validated and confirmed functional purposes, with lots of case experiences detailing the advance and implementation of chemoinformatics tips on how to aid profitable drug discovery efforts. lots of those case stories depict groundbreaking collaborations among academia and the pharmaceutical industry.
Chemoinformatics for Drug Discovery is logically equipped, delivering readers an effective base in equipment and types and advancing to drug discovery purposes and the layout of chemoinformatics infrastructures. The ebook positive aspects 15 chapters, including:
- What are our types rather telling us? a realistic instructional on heading off universal errors whilst development predictive models
- Exploration of structure-activity relationships and move of key components in lead optimization
- Collaborations among academia and pharma
- Applications of chemoinformatics in pharmaceutical research—experiences at huge overseas pharmaceutical companies
- Lessons discovered from 30 years of constructing winning built-in chemoinformatic systems
Throughout the booklet, the authors current chemoinformatics thoughts and techniques which were confirmed to paintings in pharmaceutical study, supplying insights culled from their very own investigations. each one bankruptcy is generally referenced with citations to unique study experiences and reviews.
Integrating chemistry, laptop technology, and drug discovery, Chemoinformatics for Drug Discovery encapsulates the sector because it stands this day and opens the door to additional advances.
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Chemoinformatics for Drug Discovery by Jürgen Bajorath