Kinghorn A., Douglas , Falk, Heinz , Gibbons, Simon , Kobayashi, Junichi , Asakawa, Yoshinori , Liu, Ji-Kai

Progress in the Chemistry of Organic Natural Products 110

Cheminformatics in Natural Product Research

Kinghorn A., Douglas , Falk, Heinz , Gibbons, Simon , Kobayashi, Junichi , Asakawa, Yoshinori , Liu, Ji-Kai

Progress in the Chemistry of Organic Natural Products 110

Cheminformatics in Natural Product Research

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Description Authors

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.

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.

ISBN	978-3-030-14634-4
Article number	9783030146344
Media type	Book
Copyright year	2020
Publisher	Springer, Berlin
Length	VII, 271 pages
Illustrations	VII, 271 p. 92 illus., 26 illus. in color.
Language	English