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Progress in the Chemistry of Organic Natural Products 110 Cheminformatics in Natural Product Research

The book summarizes important aspects of cheminformatics that are relevant for natural product research. It highlights cheminformatics tools that help to match natural products with their respective biological targets or off-targets, and discusses the potential and limitations of this approach

Bibliographic Details
Other Authors: Kinghorn, A. Douglas (Editor), Falk, Heinz (Editor), Gibbons, Simon (Editor), Kobayashi, Jun'ichi (Editor)
Format: eBook
Language:English
Published: Cham Springer International Publishing 2019, 2019
Edition:1st ed. 2019
Series:Progress in the Chemistry of Organic Natural Products
Subjects:
Pharmaceutical Chemistry
Medicinal Chemistry
Chemistry, Organic
Pharmaceutics
Organic Chemistry
Online Access:
Collection: Springer eBooks 2005- - Collection details see MPG.ReNa
Table of Contents:
  • Resources for chemical, biological, and structural data on natural product
  • The pharmacophore concept and its applications in computer-aided drug design
  • Chemical space of natural products
  • Cheminformatics analysis for natural product fragments
  • A toolbox for the identification of modes of action of natural products
  • A SWOT analysis of Cheminformatics in natural product research
  • Open access prediction tools for natural products. Case study: hERG blockers

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