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. 2019 Mar 22;5(3):eaav1190. doi: 10.1126/sciadv.aav1190

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Copyright © 2019 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

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Fig. 2 — Two-dimensional (2D) histogram plots of ANN-ECG performance applied to the (A) 300 and (B) 500 K/rigid datasets and the TB model (Eq. 1) applied to the (C) 300 and (D) 500 K/rigid datasets. Color bar denotes the probability distribution of predicted HOMO energy levels, and the inset shows the prediction in the interval of the highest-energy HOMO.