Journal of Cheminformatics

Table 1 10-fold cross-validation results of different machine learning methods

From: Finding the molecular scaffold of nuclear receptor inhibitors through high-throughput screening based on proteochemometric modelling

Method	Accuracy	Precision	Recall	F1_score	AUC
RF	0.740	0.761	0.768	0.762	0.829
RC	0.624	0.643	0.713	0.674	–^a
LR	0.453	0.490	0.000	0.000	0.452
DT	0.701	0.726	0.727	0.726	0.700
SVC	0.583	0.569	0.984	0.720	–^a

Results in Table 1 were calculated based on descriptor T1
^aThis parameters can’t be calculated in here (continuous predict values are needed to calculate AUC value)

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ISSN: 1758-2946

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