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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 3.

Figure 3.

Quantum chemical representations used in transfer learning are generalizable. Correlation between accuracies on all pairs of the five. Each data point represents transfer learning from one of 20 subsets of the 15 calculated quantum chemical descriptors. No pair of tasks is correlated, suggesting that each quantum transfer model is generalizable across different tasks, and no choice of QC properties improves performance on all tasks equally.