MutagenPred-GCNNs: A Graph Convolutional Neural Network-Based Classification Model for Mutagenicity Prediction with Data-Driven Molecular Fingerprints.
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DOI: 10.1007/s12539-020-00407-2
Abstract: An important task in the early stage of drug discovery is the identification of mutagenic compounds. Mutagenicity prediction models that can interpret relationships between toxicological endpoints and compound structures are especially favorable. In this research,… read more here.
Keywords: graph convolutional; convolutional neural; mutagenicity prediction; model ... See more keywords