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PubMed · 6993681

Structure-activity analyzed by pattern recognition: the asymmetric case.

W J Dunn·S Wold
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Abstract

In classification studies in which pattern-recognition methods are used to distinguish active compounds from inactive ones, a type of data structure which we call "asymmetric" can be observed. This type of data structure can be quite common and its occurrence can have a profound effect on the classification analysis outcome. The origin of asymmetric data structure and a strategy or obtaining meaningful classification results when it is observed are discussed and illustrated with an example of active and inactive antimalarial quinones.

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AntimalarialsModels, TheoreticalNaphthoquinonesPattern Recognition, AutomatedPharmaceutical PreparationsPlasmodium bergheiStructure-Activity RelationshipJournal Article

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W J Dunn, S Wold. 1980. Structure-activity analyzed by pattern recognition: the asymmetric case.. https://doi.org/10.1021/jm00180a003

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