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Table 9 Comparison of the observed and predicted by SHAFTS for several similarity thresholds

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

Threshold Real-predicted Pairs % Predicted Pairs %
0.90 Active-active 19 24 Correct 31 42
Inactive-inactive 13 18
Active-inactive 18 24 Incorrect 43 58
Inactive-active 25 34
Total 74 100 Total 74 100
0.80 Active-active 75 29 Correct 137 53
Inactive-inactive 62 24
Active-inactive 43 17 Incorrect 120 47
Inactive-active 77 30
Total 257 100 Total 257 100
0.70 Active-active 107 22 Correct 224 45
Inactive-inactive 117 24
Active-inactive 76 15 Incorrect 271 55
Inactive-active 195 39
Total 495 100 Total 495 100
  1. Pairs-Number of predicted pairs