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. 2023 Feb 3;36(2):188–201. doi: 10.1021/acs.chemrestox.2c00283

Figure 3.

Figure 3

Comparison of the predictive power of the curated and uncurated human SVR models. (A) The human test set predicted with the human SVR model. MAPE = 9.73%, MAE = 0.55 ± 0.48 (SD), RMSE = 0.73, Pearson’s r = 0.76, R2 = 0.58, two-tailed P value <0.0001. The line shows a simple linear regression with 90% prediction bands. (B) The human test set predicted with the uncurated human SVR model. MAPE = 13.7%, MAE = 0.73 ± 0.55, RMSE = 0.93, Pearson’s r = 0.66, R2 = 0.44, two-tailed P value <0.0001. (C) Comparison of absolute error for real vs predicted values (−log M) of the human test set using the human curated or uncurated SVR models. Unpaired t test with Welch’s correction, P value = 0.0002. (D) Comparison of absolute percentage errors for the real vs predicted value of the human test set using the human curated or uncurated SVR models. Unpaired t test with Welch’s correction, P value <0.0001.