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Table 3 Effect of the sign_split function

From: A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening

 

With

Without

Average (AUCs)

0.77

0.76

Median (AUCs)

0.83

0.75

  1. Test protocol: 20 targets and five queries per target were randomly chosen on “1conf”.
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Journal of Cheminformatics

ISSN: 1758-2946

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