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Table 8 Comparison of the observed and predicted by OBabel_FP2 for several similarity thresholds

From: Maximum common property: a new approach for molecular similarity

Threshold Real-Predicted Pairs % Predicted Pairs %
0.90 Active-active 42 31 Correct 77 56
Inactive-inactive 35 26
Active-inactive 32 23 Incorrect 60 44
Inactive-active 28 20
Total 137 100 Total 137 100
0.80 Active-active 101 32 Correct 170 55
Inactive-inactive 69 22
Active-inactive 65 21 Incorrect 141 45
Inactive-active 76 24
Total 311 100 Total 311 100
0.70 Active-active 133 24 Correct 277 49
Inactive-inactive 144 26
Active-inactive 86 15 Incorrect 287 51
Inactive-active 201 36
Total 564 100 Total 564 100
  1. Pairs-Number of predicted pairs