Table 5.

Prediction result of inhibition (IC₅₀) using SMILES to SC

Embedding method	Classification	Accuracy	Precision	Recall	F1
word2vec	LR	0.824	0.834	0.830	0.832
	LDA	0.825	0.835	0.831	0.833
	KNN	0.825	0.828	0.841	0.834
	CART	0.812	0.834	0.800	0.817
	NB	0.688	0.665	0.815	0.732
	SVM	0.838	0.843	0.849	0.846
	XGBoost	0.840	0.833	0.870	0.851
	RDForest	0.838	0.824	0.881	0.851
Ising-word2vec	LR	0.818	0.825	0.829	0.826
	LDA	0.811	0.825	0.812	0.818
	KNN	0.831	0.836	0.845	0.840
	CART	0.809	0.835	0.794	0.813
	NB	0.681	0.660	0.807	0.726
	SVM	0.836	0.842	0.847	0.844
	XGBoost	0.837	0.831	0.867	0.848
	RDForest	0.841	0.828	0.881	0.853