Description

This book focuses on applications of compound library design and virtual screening to expand the bioactive chemical space, to target hopping of chemotypes to identify synergies within related drug discovery projects or to repurpose known drugs, to propose mechanism of action of compounds, or to identify off-target effects by cross-reactivity analysis. Both ligand-based and structure-based in silico approaches, as reviewed in this book, play important roles for all these applications. Computational chemogenomics is expected to increase the quality and productivity of drug discovery and lead to the discovery of new medicines.

Computational Chemogenomics

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Hardback by Edgar Jacoby

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This book focuses on applications of compound library design and virtual screening to expand the bioactive chemical space, to target... Read more

    Publisher: Pan Stanford Publishing Pte Ltd
    Publication Date: 03/12/2013
    ISBN13: 9789814411394, 978-9814411394
    ISBN10: 9814411396

    Number of Pages: 264

    Non Fiction , Education

    Description

    This book focuses on applications of compound library design and virtual screening to expand the bioactive chemical space, to target hopping of chemotypes to identify synergies within related drug discovery projects or to repurpose known drugs, to propose mechanism of action of compounds, or to identify off-target effects by cross-reactivity analysis. Both ligand-based and structure-based in silico approaches, as reviewed in this book, play important roles for all these applications. Computational chemogenomics is expected to increase the quality and productivity of drug discovery and lead to the discovery of new medicines.

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