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Electrostatic Potentials as Descriptors of Molecular Reactivity: The Basis for Some Successful Predictions of Biological Activity

  • Chapter
Chemical Applications of Atomic and Molecular Electrostatic Potentials

Abstract

Almost immediately after the theoretical basis of the molecular electrostatic potential (MEP) was described (see reference 1 for a review) and efficient methods of calculation were devised,2 the MEP became an important reactivity index in studies of a large variety of molecular interactions (for a recent review see reference 3). The utility of this approach to molecular reactivity is continually demonstrated, and the present volume is further proof of the wide scope of use that MEP’s have found in chemistry, biochemistry and related disciplines. Concomitantly there is a growing concern with the shortcomings of the method and a need to illustrate the reasons for success and failure of this approach in studies of molecular reactivity.

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Author information

Authors and Affiliations

  1. Department of Pharmacology, Mount Sinai School of Medicine Of the City University of New York, New York, NY, 10029, USA

    Harel Weinstein, Roman Osman, Jack Peter Green & Sid Topiol

Authors
  1. Harel Weinstein
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  2. Roman Osman
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  3. Jack Peter Green
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  4. Sid Topiol
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Editor information

Editors and Affiliations

  1. University of New Orleans, New Orleans, Louisiana, USA

    Peter Politzer

  2. University of Minnesota, Minneapolis, Minnesota, USA

    Donald G. Truhlar

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Weinstein, H., Osman, R., Green, J.P., Topiol, S. (1981). Electrostatic Potentials as Descriptors of Molecular Reactivity: The Basis for Some Successful Predictions of Biological Activity. In: Politzer, P., Truhlar, D.G. (eds) Chemical Applications of Atomic and Molecular Electrostatic Potentials. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-9634-6_14

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  • DOI: https://doi.org/10.1007/978-1-4757-9634-6_14

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4757-9636-0

  • Online ISBN: 978-1-4757-9634-6

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