Table 8. Percentage of Compounds in the Reference Data Sets Covered by a Compound in the End-Point-Specific Data Sets at the Given Tanimoto Similarity Thresholds.
| end
point |
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|---|---|---|---|---|---|---|---|---|---|---|
| Tanimoto similarity | DIO1 | DIO2 | DIO3 | TPO | TR | NIS | TRHR | TSHRAnt | TSHRAg | |
| % coverage pesticides | 1.0. | 57 | 57 | 57 | 47 | 56 | 35 | 65 | 65 | 70 |
| ≥0.8 | 58 | 58 | 58 | 48 | 57 | 36 | 66 | 65 | 71 | |
| ≥0.6 | 67 | 68 | 68 | 58 | 68 | 47 | 76 | 76 | 79 | |
| ≥0.4 | 84 | 84 | 84 | 78 | 85 | 68 | 87 | 89 | 90 | |
| ≥0.2 | 99 | 99 | 99 | 98 | 99 | 98 | 99 | 99 | 99 | |
| % coverage cosmetics | 1.0 | 16 | 16 | 16 | 9 | 37 | 7 | 39 | 40 | 39 |
| ≥0.8 | 20 | 20 | 20 | 11 | 41 | 9 | 43 | 44 | 43 | |
| ≥0.6 | 34 | 34 | 34 | 19 | 58 | 17 | 59 | 60 | 59 | |
| ≥0.4 | 69 | 70 | 70 | 52 | 98 | 49 | 86 | 86 | 86 | |
| ≥0.2 | 95 | 95 | 95 | 92 | 98 | 92 | 98 | 98 | 98 | |
| % coverage drugs | 1.0 | 5 | 5 | 5 | 3 | 22 | 2 | 20 | 20 | 20 |
| ≥0.8 | 5 | 5 | 5 | 3 | 24 | 3 | 22 | 22 | 22 | |
| ≥0.6 | 10 | 10 | 10 | 7 | 37 | 6 | 33 | 34 | 33 | |
| ≥0.4 | 28 | 29 | 29 | 22 | 62 | 20 | 60 | 60 | 60 | |
| ≥0.2 | 95 | 95 | 95 | 93 | 98 | 91 | 98 | 98 | 98 | |