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. 2020 Feb 26;6(9):eaay6913. doi: 10.1126/sciadv.aay6913

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Copyright © 2020 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).

This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license, which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited.

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Fig. 2 — (A to F) A molecule from the validation set with formula C₇H₁₀O₂. (G to L) A dibenzo[a,h]thianthrene molecule (49). (M to U) A fullerene C₆₀ [experimental data in (S) to (U)]. (V to X) Comparison of image descriptors, vdW-Spheres, height map, and atomic disk representation (see the SM for explanation) predicted from experimental images of C₆₀. Columns 1 to 3 show simulated AFM signal (Δf) at different heights. Column 4 shows the vdW-Spheres representation predicted by the trained CNN (naturally, the reference is not available for experiment). Column 5 shows the reference vdW-Spheres representation calculated directly from geometry. Column 6 depicts a 3D render of the molecule.