Summary
Molecular surface comparison seems to be a very suitable tool for the investigation of small differences between biologically active and inactive compounds of the same structural type. A fast method for such comparisons, based on volume matching followed by the estimation of comparable surface dots, is presented and applied on a few selected sandalwood odour molecules.
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Buchbauer, G., Winiwarter, S. & Wolschann, P. Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V. J Computer-Aided Mol Des 6, 583–592 (1992). https://doi.org/10.1007/BF00126216
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DOI: https://doi.org/10.1007/BF00126216