Collaborative Approach between Explainable Artificial Intelligence and Simplified Chemical Interactions to Explore Active Ligands for Cyclin-Dependent Kinase 2
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DOI: 10.1021/acsomega.1c06976
Abstract: To improve virtual screening for drug discovery, we present a collaborative approach between explainable artificial intelligence (AI) and simplified chemical interaction scores to efficiently search for active ligands bound to the target receptor. In particular,… read more here.
Keywords: collaborative approach; explainable artificial; intelligence simplified; approach explainable ... See more keywords