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A PLS QSAR analysis using 3D generated aromatic descriptors of principal property type: Application to some dopamine D2 benzamide antagonists

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Summary

A simple and computationally nonintensive technique based on principal component analysis of 3D fields to derive theoretical descriptors is presented. The descriptors are then applied to a quantitative structure-activity relationship study on some dopamine D2 antagonists of benzamide type.

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  1. Karo Bio AB, P.O. Box 4032, S-141 04, Huddinge, Sweden

    Ulf Norinder

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  1. Ulf Norinder
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Norinder, U. A PLS QSAR analysis using 3D generated aromatic descriptors of principal property type: Application to some dopamine D2 benzamide antagonists. J Computer-Aided Mol Des 7, 671–682 (1993). https://doi.org/10.1007/BF00125325

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  • DOI: https://doi.org/10.1007/BF00125325

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