Prediction of Different Classes of Promiscuous and Nonpromiscuous Compounds Using Machine Learning and Nearest Neighbor Analysis
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DOI: 10.1021/acsomega.9b00492
Abstract: The ability of compounds to interact with multiple targets is also referred to as promiscuity. Multitarget activity of pharmaceutically relevant compounds provides the foundation of polypharmacology. Promiscuity cliffs (PCs) were introduced as a data structure… read more here.
Keywords: classes promiscuous; nonpromiscuous compounds; promiscuous nonpromiscuous; machine learning ... See more keywords