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

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© The Author(s) 2021

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Fig. 5 — Scaffold retrieval during fine-tuning. Reported is the number of multi-, single-, and no-target BM scaffolds detected in 1,000,000 SMILES sampled after each fine-tuning epoch. a shows the total number of BM scaffolds and b the percentage for each data set