BMC Bioinformatics

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
Model (EC50)	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

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ISSN: 1471-2105

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