Chemogenomic Active Learning's Domain of Applicability on Small, Sparse qHTS Matrices: A Study Using Cytochrome P450 and Nuclear Hormone Receptor Families
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DOI: 10.1002/cmdc.201700677
Abstract: Computational models for predicting the activity of small molecules against targets are now routinely developed and used in academia and industry, partially due to public bioactivity databases. While models based on bigger datasets are the… read more here.
Keywords: active learning; hormone receptor; nuclear hormone; cytochrome p450 ... See more keywords