Dependence of calculated precision/enrichment factor of CoMOAdrug and CoVLS for the top 20 drugs on the cutoff of the number of known drugs associated with a disease.
Drug # cutoff | # of evaluated indications | MEDICASCYa | CoMOAdrug | CoVLS |
---|---|---|---|---|
20 | 1029 | 0.273/3.10 | 0.270/4.53 | 0.305/5.03 |
30 | 891 | 0.309/3.48 | 0.304/4.61 | 0.346/5.29 |
40 | 790 | 0.335/3.62 | 0.332/4.52 | 0.376/5.13 |
50 | 710 | 0.364/3.94 | 0.360/4.60 | 0.408/5.27 |
60 | 675 | 0.377/4.10 | 0.374/4.67 | 0.425/5.37 |
70 | 652 | 0.386/4.20 | 0.383/4.71 | 0.434/5.38 |
80 | 602 | 0.406/4.44 | 0.407/4.89 | 0.464/5.66 |
90 | 458 | 0.487/5.43 | 0.516/5.96 | 0.575/6.59 |
100 | 423 | 0.509/5.63 | 0.546/6.18 | 0.612/6.90 |
110 | 404 | 0.521/5.78 | 0.563/6.31 | 0.634/7.10 |
120 | 384 | 0.536/5.93 | 0.586/6.51 | 0.659/7.32 |
130 | 370 | 0.549/6.05 | 0.601/6.65 | 0.678/7.49 |
140 | 364 | 0.555/6.12 | 0.609/6.72 | 0.685/7.56 |
150 | 356 | 0.561/6.17 | 0.617/6.79 | 0.696/7.66 |
160 | 347 | 0.568/6.23 | 0.628/6.90 | 0.708/7.78 |
170 | 336 | 0.580/6.35 | 0.642/7.05 | 0.726/7.97 |
180 | 228 | 0.572/6.05 | 0.623/6.61 | 0.715/7.61 |
190 | 106 | 0.558/5.57 | 0.591/5.91 | 0.673/6.78 |
200 | 51 | 0.537/5.04 | 0.573/5.38 | 0.620/5.90 |
a MEDICASCY results are included for comparison. Bold number is the maximal calculated precision (1st number) of each method. For a given testing drug, any drugs with Tanimoto Coefficient > 0.8 to it are excluded from training. Enrichment factor (2nd number) is defined as the following ratio: (number of predicted true positives within the top 20)/(number of true positives by randomly selecting 20 drugs from the 2,059 drugs).