Table 1. Comparison of Machine Learning Models in Classifying Active Ligands (Positive Cases) Bound to CDK2.

models	accuracy	precision	recall	F1 score	MCC	AUC score
gradient boosting (LightGBM)	0.98	0.98	0.48	0.60	0.65	0.93
SVM–RBF	0.98	0.79	0.60	0.68	0.68	0.92
SVM–poly3	0.98	0.65	0.48	0.55	0.55	0.87
random forest	0.98	0.99	0.28	0.44	0.52	0.89
logistic regression	0.77	0.08	0.71	0.14	0.18	0.81