Structure-activity studies of musk odorants using pattern recognition: monocyclic nitrobenzenes
- 1 October 1985
- journal article
- research article
- Published by Oxford University Press (OUP) in Chemical Senses
- Vol. 10 (4) , 491-505
- https://doi.org/10.1093/chemse/10.4.491
Abstract
A structure-activity study of musk odorants is reported. The discovery of a geometric olfactophore is described. A set of 71 monocyclic benzenoid compounds (38 musks and 33 non-musks) have been studied using pattern recognition techniques. Two different discriminants based on sets of 13 molecular structure descriptors were developed that completely separated the compounds into their respective classes. A set of 29 other compounds were predicted.Keywords
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