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. 2018 Mar 8;10:10. doi: 10.1186/s13321-018-0263-1

Table 8.

OPERA and EPI Suite MP prediction statistics for chemicals with salts

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