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By Jürgen Bajorath

Chemoinformatics options 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 publication explains how chemoinformatics complements drug discovery and pharmaceutical study efforts, describing what works and what does not. robust emphasis is wear established and confirmed sensible functions, with lots of case experiences detailing the advance and implementation of chemoinformatics the way to help winning 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 pretty good base in tools and types and advancing to drug discovery functions and the layout of chemoinformatics infrastructures. The booklet positive aspects 15 chapters, including:

  • What are our types particularly telling us? a realistic instructional on keeping off universal error 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 profitable built-in chemoinformatic systems

Throughout the e-book, the authors current chemoinformatics ideas and techniques which have been confirmed to paintings in pharmaceutical study, providing insights culled from their very own investigations. each one bankruptcy is widely referenced with citations to unique study studies 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 extra advances.

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Chemoinformatics for Drug Discovery by Jürgen Bajorath

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