Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
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DOI: 10.1186/s13321-019-0387-y
Abstract: Recently Bosc et al. (J Cheminform 11(1): 4, 2019), published an article describing a case study that directly compares conformal predictions with traditional QSAR methods for large-scale predictions of target-ligand binding. We consider this study… read more here.
Keywords: large scale; missed opportunities; comparison qsar; qsar ... See more keywords