End-to-end sequence-structure-function meta-learning predicts genome-wide chemical-protein interactions for dark proteins
Table 3
Compound screening performances evaluated using the DUD-E benchmark.
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.