Compound screening performances evaluated using the DUD-E benchmark.
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For “PortalCG-0.3”, the similarities between chemicals in the training/validation set and those in the testing set are less than 0.3 of the Tanimoto Coefficient (TC). For ‘PortalCG-0.5’, the similarities between chemicals in the training/validation set and those in the testing set are less than 0.5 of the TC. The best performance is accentuated in bold.
创建时间：
2023-01-18
