LAUSR

Comprehensive ensemble in QSAR prediction for drug discovery

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0 Published in 2019 at "BMC Bioinformatics"

DOI: 10.1186/s12859-019-3135-4

Abstract: BackgroundQuantitative structure-activity relationship (QSAR) is a computational modeling method for revealing relationships between structural properties of chemical compounds and biological activities. QSAR modeling is essential for drug discovery, but it has many constraints. Ensemble-based machine… read more here.

Keywords: drug discovery; comprehensive ensemble; qsar prediction; method ... See more keywords