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Self-Organizing Molecular Field Analysis (SOMFA): A Tool for Structure-Activity Studies

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Part of the book series: Mathematical and Computational Chemistry ((MACC))

Abstract

Quantitative structure activity relations (QSAR), and three-dimensional quantitative structure-activity relations (3D-QSAR) have had a profound impact on medicinal chemistry [1–6]. The ability to produce quantitative correlations between three-dimensional properties of molecules and the biological activity of these compounds is of inestimable value in deciding upon the choice of future synthetic chemistry.

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© 2001 Springer Science+Business Media New York

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Winn, P.J., Robinson, D.D., Richards, W.G. (2001). Self-Organizing Molecular Field Analysis (SOMFA): A Tool for Structure-Activity Studies. In: Carbó-Dorca, R., Gironés, X., Mezey, P.G. (eds) Fundamentals of Molecular Similarity. Mathematical and Computational Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-3273-3_13

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  • DOI: https://doi.org/10.1007/978-1-4757-3273-3_13

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4419-3344-7

  • Online ISBN: 978-1-4757-3273-3

  • eBook Packages: Springer Book Archive

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