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Table 3 Tenfold cross validation of three kinds of algorithms for EC50 feature subset

From: Quantitative prediction model for affinity of drug–target interactions based on molecular vibrations and overall system of ligand-receptor

Model (EC50) R2 MSE RMSE MAE SSE
Train Test Train Test Train Test Train Test Train Test
SVM 0.9317 0.5759 0.1270 0.8356 0.3564 0.9146 0.1960 0.5801 1249 8216
RF 0.9611 0.9641 0.0891 0.0817 0.2985 0.2858 0.1976 0.1989 876 803.3
ANN 0.7350 0.5211 0.4867 0.9590 0.6976 0.9793 0.5023 0.6792 4785 9429