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. Author manuscript; available in PMC: 2020 Apr 9.
Published in final edited form as: J Chem Theory Comput. 2019 Mar 12;15(4):2460–2469. doi: 10.1021/acs.jctc.8b01289

Figure 5:

Figure 5:

Comparison of connectivity machine learning algorithm (ML Conn) predicted atomic (A) and molecular (B) polarizabilities, as well as atomic (C) and molecular (D) charges to the respective QM values. Top: direct comparison to QM. Bottom: histogram of the respective deviations.