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. Author manuscript; available in PMC: 2021 Dec 30.
Published in final edited form as: J Phys Chem A. 2020 Oct 21;124(44):9194–9202. doi: 10.1021/acs.jpca.0c06231

Figure 4.

Figure 4.

Quantum transfer learning improves identification of epoxidation sites within aromatic systems. (A) Predicted and actual sites of epoxidation for example molecules 1–3 are shown for the Top, QC, and TLQC models. (B) Top-2 accuracy for aromatic sites. (C) Mean Z-score for sites of epoxidation within aromatic systems relative to the distribution of scores assigned to nonsites.