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Journal of Cheminformatics
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Table 8 OPERA and EPI Suite MP prediction statistics for chemicals with salts
From:
OPERA models for predicting physicochemical properties and environmental fate endpoints
Dataset
Chemicals with salts
RMSE OPERA (°C)
RMSE EPI Suite (°C)
No salts
With salts
Training set
117
102.18
81.56
154.78
Test set
38
98.73
88.68
154.42
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