Correction to “XGraphBoost: Extracting Graph Neural Network-Based Features for a Better Prediction of Molecular Properties”
Daiguo Deng, Xiaowei Chen, Ruochi Zhang, Zengrong Lei, Xiaojian Wang, Fengfeng Zhou · Journal of Chemical Information and Modeling · 2021
RecommendationsI n the original submission version, all RMSE values for DMPNN in regression tasks are actually median absolute deviation (MAE).We corrected the errors in the original version in the following sections.Implementation and Running Environments.In Table 2, footnote b indicates the RMSE value after the update, and the other values in the table remain unchanged.