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. 2021 May 28;36(5):363–371. doi: 10.1007/s10822-021-00392-8

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Fig. 2 — Compound retrieval during fine-tuning. Reported is the number of retrieved multi-, single-, and no-target compounds among 1,000,000 SMILES sampled after each fine-tuning epoch. a shows the absolute number of retrieved compounds and b the percentage for each data set