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Published in 2019 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-019-00255-3
Abstract: Imbalanced datasets, comprising of more inactive compounds relative to the active ones, are a common challenge in ligand-based model building workflows for drug discovery. This is particularly true for neglected tropical diseases since efforts to…
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Keywords:
zikv inhibitory;
wnv zikv;
inhibitory activities;
performance ... See more keywords