Structure-activity analyzed by pattern recognition: the asymmetric case
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...
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Veröffentlicht in: | Journal of medicinal chemistry 1980-06, Vol.23 (6), p.595-599 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | 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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ISSN: | 0022-2623 1520-4804 |
DOI: | 10.1021/jm00180a003 |