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PubMed · 12688415

Fuzzy structure-activity relationships.

B T Luke
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Abstract

While quantitative structure-activity relationships attempt to predict the numerical value of the activities, it is found that statistically good predictors do not always do a good job of qualitatively determining the activity. This study shows how Fuzzy classifiers can be used to generate Fuzzy structure-activity relationships which can more accurately determine whether or not a compound will be highly inactive, moderately inactive or active, or highly active. Four examples of these classifiers are presented and applied to a well-studied activity dataset.

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Fuzzy LogicModels, ChemicalStructure-Activity RelationshipJournal ArticleResearch Support, U.S. Gov't, P.H.S.Review

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B T Luke. 2003. Fuzzy structure-activity relationships.. https://doi.org/10.1080/1062936021000058773

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