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Fig. 6 | BMC Bioinformatics

Fig. 6

From: On the robustness of generalization of drug–drug interaction models

Fig. 6

SMILES Data Augmentation results. The first row: We tested different values of n and report the gap between our evaluations schemes. (\(\mu 1\) = random–one unseen, \(\mu 2\) = random–both unseen, \(\mu 3\) = one-unseen–both-unseen). Best n = 20 for Twosides and n = 80 for DrugBank. Second row: we compare ourselves, i.e. best-randomized smiles (Rand, smiles) to GIN, fingerprints, and canonical SMILES

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