By Jürgen Bajorath

Chemoinformatics recommendations 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 confirmed and confirmed sensible purposes, with lots of case stories detailing the improvement and implementation of chemoinformatics how you can help profitable drug discovery efforts. a lot of those case experiences depict groundbreaking collaborations among academia and the pharmaceutical industry.

Chemoinformatics for Drug Discovery is logically prepared, providing readers a superior base in tools and versions and advancing to drug discovery purposes and the layout of chemoinformatics infrastructures. The e-book positive aspects 15 chapters, including:

  • What are our types rather telling us? a pragmatic instructional on heading off universal error whilst development 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 discovered from 30 years of constructing winning built-in chemoinformatic systems

Throughout the e-book, the authors current chemoinformatics recommendations and strategies which have been confirmed to paintings in pharmaceutical learn, providing insights culled from their very own investigations. every one bankruptcy is generally referenced with citations to unique study stories and reviews.

Integrating chemistry, desktop technology, and drug discovery, Chemoinformatics for Drug Discovery encapsulates the sector 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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