Table 4.

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

Class	Precision	Recall	F1 score	Support
Class 0	0.58	0.72	0.64	373
Class 1	0.72	0.58	0.64	463
Accuracy			0.64	836
Macro Acc.	0.65	0.65	0.64	836
Weighted Acc.	0.66	0.64	0.64	836

Chance prediction would be 55.4% for this case