Chemical toxicity prediction based on semi-supervised learning and graph convolutional neural network - Chen, Jiarui; Si, Yain-Whar; Un, Chon-Wai; Siu, Shirley W. I. (Journal of cheminformatics, 2021)
Keywords: Algorithms; Animal experimentation; Animal research; Artificial neural networks; Biocompatibility; Chemical compounds; Chemical toxicity; Chemistry; Chemistry and Materials Science; Computational Biology/Bioinformatics; Computational linguistics; Computer Applications in Chemistry; Deep learning; Documentation and Information in Chemistry; Drug discovery; Ethical standards; Experiments; Graph convolutional neural network; In vivo methods and tests; Language processing; Learning algorithms; Machine learning; Mean teacher; Methodology; Natural language interfaces; Neural networks; Predictions; Semi-supervised learning; Social networks; Success; Theoretical and Computational Chemistry; Tox21; Toxicity; Toxicity testing; Toxicology; Deep learning; Chemical toxicity; Semi-supervised learning; Mean teacher; Graph convolutional neural network; ADMET; Tox21