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Table 1 Effect of the dx parameter

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

dx (Å) Average (AUCs) Median (AUCs)
0.005 0.73 0.75
0.01 0.69 0.71
0.05 0.68 0.70
0.1 0.67 0.70
0.5 0.66 0.66
  1. Test protocol: 20 targets and five queries per target were randomly chosen on “1conf”.