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Table 4 Prediction performance of regression models in PredAOT on the test dataset. RMSE and R2 values are calculated using log10 transformed LD50 values

From: PredAOT: a computational framework for prediction of acute oral toxicity based on multiple random forest models

 

Regression model

RMSE

R2

Mouse

Less or non-toxic

0.2923

0.3881

Toxic

0.3806

0.3557

Rat

Less or non-toxic

0.3863

0.2702

Toxic

0.5323

0.3065

  1. RMSE, root mean squared error; R2, R-squared
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BMC Bioinformatics

ISSN: 1471-2105

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