Table 3.
Predictivity of the LLNA for chemicals of the DASS DB which have LLNA and human data from Basketter et al. (n = 96). Three subsets have been calculated: all (N = 96), LogP<3.5 (N = 71), and LogP≥3.5 (N = 25).
| Set | FN | FP | TN | TP | N | Acc. | Bal-Acc | Sens. | Spec. | FDR | Prev. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| All | 1 | 17 | 11 | 67 | 96 | 0.81 | 0.69 | 0.99 | 0.391) | 0.20 | 0.71 |
| LogP<3.5 | 1 | 8 | 10 | 52 | 71 | 0.87 | 0.77 | 0.98 | 0.56 | 0.13 | 0.75 |
| LogP≥3.5 | 0 | 9 | 1 | 15 | 25 | 0.64 | 0.55 | 1 | 0.10 | 0.38 | 0.60 |
1)
The specificity values are based on a relatively low number of chemicals. Clopper Pearson 95% confidence intervals were thus calculated: The CI for the specificity of 0.39 is [0.21, 0.59].