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. 2020 Apr 22;12:27. doi: 10.1186/s13321-020-00430-x

Table 3.

Impact of SMILES Augmentation on HIV Dataset

Iteration of augmentation Class ratio (positive: negative) AUROC
Positive class Negative class
0 0 0.037 0.816 ± 0.005
4 4 0.037 0.831 ± 0.003
30 1 0.52 0.830 ± 0.007
60 1 1 0.835 ± 0.007