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. Author manuscript; available in PMC: 2022 Feb 22.
Published in final edited form as: J Chem Inf Model. 2021 Feb 3;61(2):653–663. doi: 10.1021/acs.jcim.0c01164

Figure 2.

Figure 2.

Average performance (a) RMSE, (b) R2 of all 59 endpoints for each approach over five-fold cross-validation based on training and test data generated using random splitting. The error bar represents the standard deviation of the average performance over five-folds.