PlayMolecule Glimpse: Understanding Protein–Ligand Property Predictions with Interpretable Neural Networks
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DOI: 10.1021/acs.jcim.1c00691
Abstract: Deep learning has been successfully applied to structure-based protein–ligand affinity prediction, yet the black box nature of these models raises some questions. In a previous study, we presented KDEEP, a convolutional neural network that predicted… read more here.
Keywords: property predictions; glimpse understanding; playmolecule glimpse; understanding protein ... See more keywords