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.
Tabella dei contenuti
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: h ERG blockers.
Lingua Inglese ● Formato PDF ● Pagine 271 ● ISBN 9783030146320 ● Dimensione 7.3 MB ● Editore A. Douglas Kinghorn & Heinz Falk ● Casa editrice Springer International Publishing ● Città Cham ● Paese CH ● Pubblicato 2019 ● Scaricabile 24 mesi ● Moneta EUR ● ID 7234853 ● Protezione dalla copia DRM sociale