Table 6. QSAR predicted values for phenol compounds used for docking analysis and their applicability domain analysis for various models.
| QSAR Models | Honokiol | Nobelitin |
|---|---|---|
| Fathead minnow LC50 (96hr)-log (mol/l) | 6 | 5.37 |
| Daphnia Magna LC50 (48hr)-log (mol/l) | 3.62 | 4.45 |
| Mutagenicity model (CAESAR) | Non-mutagen | Non-mutagen |
| Carcinogenicity model | carcinogen | Non- carcinogen |
| Developmental Toxicity model | Toxicant | Toxicant |
| BCF modellog(l/kg) | 2.06 | 0.39 |
| Ready biodegradability model | Not-assignable | Ready Biodegradable |
| LogP prediction[log units] | 5.58 | 3.99 |
| Skin sensitization model (CAESAR) | sensitizer | Non- sensitizer |
| BCF read-acrosslog(l/kg) | 2.33 | 1.95 |