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. Author manuscript; available in PMC: 2021 Apr 1.
Published in final edited form as: J Comput Aided Mol Des. 2020 Feb 27;34(4):335–370. doi: 10.1007/s10822-020-00295-0

Figure 5. Performance statistics of physical methods.

Figure 5.

Physical methods are further classified into quantum chemical (QM) methods and molecular mechanics (MM) methods. RMSE and Kendall’s Rank Correlation Coefficient Tau are shown, with error bars denoting 95% confidence intervals obtained by bootstrapping over challenge molecules. Submission IDs are summarized in Table 3. Submission IDs of the form REF## refer to non-blinded reference methods computed after the blind challenge submission deadline; all others refer to blind, prospective predictions.