Potential Drugs and Nondrugs:  Prediction and Identification of Important Structural Features

Using decision trees, a model to discriminate between potential drugs and nondrugs has been developed. Compounds from the Available Chemical Directory and the World Drug Index databases were used as training set; the molecular structures were represented using extended atom types. The error rate on...

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Veröffentlicht in:	Journal of Chemical Information and Computer Sciences 2000-03, Vol.40 (2), p.280-292
Hauptverfasser:	Wagener, Markus, van Geerestein, Vincent J
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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