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Journal of Big Data

Table 9 QSAR-RFR(SPCA) 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%

0.299

10.66

70%

0.353

13.56

80%

0.301

19.57

90%

0.303

28.32

100% (without feature selection)

0.273

81.75

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