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Table 5 The subsets of unlabeled toxicity compounds for 12 toxicological endpoints with varying levels of similarity to the corresponding labeled dataset

From: Chemical toxicity prediction based on semi-supervised learning and graph convolutional neural network

Endpoint Compounds(close) Compounds(normal) Compounds(far) Total
NR-AhR 12116 20416 17995 50527
NR-AR-LBD 11765 20379 18383 50527
NR-AR 12471 19857 18199 50527
NR-Aromatase 11658 20764 18105 50527
NR-ER-LBD 11930 20140 18457 50527
NR-ER 11868 20527 18132 50527
NR-PPAR-gamma 11527 20797 18203 50527
SR-ARE 11659 21301 17567 50527
SR-ATAD5 12309 19875 18343 50527
SR-HSE 12534 20640 17353 50527
SR-MMP 11552 21325 17650 50527
SR-p53 12239 19991 18297 50527