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Journal of Big Data

Table 5 QSAR-RFR(PCA) simulation results on FCFP_6 dataset

From: Artificial intelligence paradigm for ligand-based virtual screening on the drug discovery of type 2 diabetes mellitus

Number of features

\(R^2\) value

Running time

60%

0.311

1.03

70%

0.353

1.47

80%

0.307

2.28

90%

0.362

3.61

100% (without feature selection)

0.125

13.75

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