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. Author manuscript; available in PMC: 2023 Apr 25.
Published in final edited form as: J Chem Inf Model. 2022 Apr 14;62(8):1840–1848. doi: 10.1021/acs.jcim.2c00260

Figure 5.

Figure 5.

Performance on the fixed FreeSolv test set by different models. The values atop each bar are the mean RMSE on the test set by 5 runs with different initial weights. The error bars are the standard deviation of the mean across 5 runs. 2D-PNAConv-TS and A3D-PNAConv-TS means we trained PNAConv-based model from scratch using 2D and A3D features, respectively.