Adaptive matrix metrics for molecular descriptor assessment in QSPR classification
نویسندگان
چکیده
منابع مشابه
Adaptive matrix metrics for molecular descriptor assessment in QSPR classification
QSPR methods represent a useful approach in the drug discovery process, since they allow predicting in advance biological or physicochemical properties of a candidate drug. For this goal, it is necessary that the QSPR method be as accurate as possible to provide reliable predictions. Moreover, the selection of the molecular descriptors is an important task to create QSPR prediction models of lo...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2010
ISSN: 1758-2946
DOI: 10.1186/1758-2946-2-s1-p47