Table 3. Examples of the Qualitative Knowledge Extracted as Part of the Classification Scheme.
| applicability domain | species, end point | extracted knowledge | ref |
|---|---|---|---|
| substituted benzenes | Tetrahymena pyriformis | positive correlation with end point: | Gupta et al. (2015)63 |
| pIGC50 | - MW, | ||
| - nAtomP, | |||
| - TopoPSA | |||
| negative correlation | |||
| - SHdsCH, | |||
| lipoaffinity index | |||
| pharmaceuticals | D. magna, fish | higher toxicity to D. magna: | Kar et al. (2018)64 |
| LC50 | - keto group | ||
| - aasC fragment | |||
| higher toxicity to fish: | |||
| - keto group, | |||
| - X=C=X fragment, | |||
| - R–C(=X)–X fragment, | |||
| R–C≡X fragment |