Table 3.

Models’ prediction for individual compounds.

	Real	RF27	RF22	LRG24	LRG27	SVM22	Ensemble1	Ensemble2
Venetoclax	Active	Active	Inactive	Inactive	Inactive	Active	Inactive	Active
Apabetalone	Active	Inactive	Active	Active	Active	Active	Active	Inactive
Idasanutline	Active	Active	Active	Active	Active	Active	Active	Active
JQ1	Active	Active	Active	Active	Active	Active	Active	Active
I-BET	Active	Active	Active	Active	Active	Active	Active	Active
Nutlin-2	Active	Active	Active	Active	Active	Active	Active	Active
Atorvastatin	Inactive	Inactive	Inactive	Active	Active	Inactive	Active	Inactive
Amoxicilin	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive
Albuterol	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive
Metformin	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive
Omeprazol	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive
Losartan	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive	Inactive