Table 1.

Results of the classification of molecules into prohibited, i.e., hazardous category (class 0) and allowed, i.e., non-hazardous (class 1) for the ECHA cosmetics test set (higher is better)

Class	Precision	Recall	F1 score	Support
Class 0	0.73	0.65	0.69	68
Class 1	0.80	0.86	0.83	115
Accuracy			0.78	183
Macro Acc.	0.77	0.75	0.76	183
Weighted Acc.	0.78	0.78	0.78	183

Chance prediction would be 62.8% for ECHA dataset