Predicted Surface tension at 25 °C for 120-57-0 from Consensus method

Individual Predictions Method Predicted value dyn/cm Hierarchical clustering 42.89 Group contribution 48.70 Nearest neighbor N/A

Predictions for the test chemical and for the most similar chemicals in the external test set

If the predicted value matches the experimental values for similar chemicals in the test set (and the similar chemicals were predicted well), one has greater confidence in the predicted value.

Chemicals MAE* Entire set 1.32 Similarity coefficient ≥ 0.5 2.52 *Mean absolute error in dyn/cm

CAS	Structure	Similarity Coefficient	Experimental value dyn/cm	Predicted value dyn/cm
120-57-0 (test chemical)			N/A	45.80
57497-26-4		0.73	28.39	30.91

Predictions for the test chemical and for the most similar chemicals in the training set

If the predicted value matches the experimental values for similar chemicals in the training set (and the similar chemicals were predicted well), one has greater confidence in the predicted value.

Chemicals MAE* Entire set 1.16 Similarity coefficient ≥ 0.5 0.79 *Mean absolute error in dyn/cm

CAS	Structure	Similarity Coefficient	Experimental value dyn/cm	Predicted value dyn/cm
120-57-0 (test chemical)			N/A	45.80
16484-17-6		0.75	34.57	33.78