Chemoinformatics for Drug Discovery by Jürgen Bajorath

By Jürgen Bajorath

Chemoinformatics ideas 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 e-book explains how chemoinformatics complements drug discovery and pharmaceutical learn efforts, describing what works and what does not. robust emphasis is wear validated and confirmed sensible functions, with lots of case stories detailing the advance and implementation of chemoinformatics how to help profitable drug discovery efforts. a lot of those case stories depict groundbreaking collaborations among academia and the pharmaceutical industry.

Chemoinformatics for Drug Discovery is logically prepared, delivering readers a high-quality 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 quite telling us? a realistic instructional on averting universal error whilst construction 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 profitable built-in chemoinformatic systems

Throughout the publication, the authors current chemoinformatics thoughts and strategies which were confirmed to paintings in pharmaceutical examine, supplying insights culled from their very own investigations. every one bankruptcy is largely referenced with citations to unique study reviews and reviews.

Integrating chemistry, machine technological know-how, and drug discovery, Chemoinformatics for Drug Discovery encapsulates the sector because it stands this day and opens the door to extra advances.

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