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Finding Potential Multitarget Ligands Using PubChem

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Computational Chemogenomics

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1825))

Abstract

PubChem (https://pubchem.ncbi.nlm.nih.gov) is a key chemical information resource, developed and maintained by the US National Institutes of Health. The present chapter describes how to find potential multitarget ligands from PubChem that would be tested in further experiments. While the protocol presented here uses PubChem’s Web-based interfaces to allow users to follow it interactively, it can also be implemented in computer software by using programmatic access interfaces to PubChem (such as PUG-REST or E-Utilities).

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Acknowledgments

This work was supported by the Intramural Research Program of the National Library of Medicine, National Institutes of Health, US Department of Health and Human Services. We would like to thank Douglas Joubert, NIH Library Editing Service, for reviewing the manuscript.

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Authors and Affiliations

  1. Department of Health and Human Services, National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, USA

    Sunghwan Kim, Benjamin A. Shoemaker, Evan E. Bolton & Stephen H. Bryant

Authors
  1. Sunghwan Kim
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  2. Benjamin A. Shoemaker
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  3. Evan E. Bolton
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  4. Stephen H. Bryant
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Corresponding author

Correspondence to Sunghwan Kim .

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Editors and Affiliations

  1. Life Science Informatics Research Unit, Laboratory of Molecular Biosciences, Kyoto University Graduate School of Medicine, Kyoto, Japan

    J.B. Brown

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Kim, S., Shoemaker, B.A., Bolton, E.E., Bryant, S.H. (2018). Finding Potential Multitarget Ligands Using PubChem. In: Brown, J. (eds) Computational Chemogenomics. Methods in Molecular Biology, vol 1825. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-8639-2_2

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  • DOI: https://doi.org/10.1007/978-1-4939-8639-2_2

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  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-8638-5

  • Online ISBN: 978-1-4939-8639-2

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