TABLE 3.

Performance of the predictive model for the anti-HSV-1 activity.

	Accuracy	Sensitivity	Precision	F1 score	ROC-AUC
Grid search	0.77	0.71	0.77	0.74	0.86
Test	0.79	0.76	0.76	0.76	0.86
Inside AD	0.78	0.71	0.76	0.73	0.87

AD, Applicability domain; ROC-AUC, receiver operating characteristic—area under the curve.

Grid search, Results of model optimization using AUC as an indicator; Test, Prediction results of the test data without considering AD using the optimized model; Inside AD, Prediction results of test data considering AD using the optimized model.