Papa, E.; Pilutti, P.; Gramatica, P. Prediction of PAH mutagenicity in human cells by QSAR classification. SAR and QSAR in Environmental Research 2008, 19, 115–127.
Compound
| ID: | 62 | |
|---|---|---|
| Name: | 1-Methylbenzo(a)pyrene | |
| Description: | Prediction for CART model was recalculated | |
| Labels: | ||
| CAS: | 40568-90-9 | |
| InChi Code: | InChI=1S/C21H14/c1-13-6-7-14-8-9-16-12-15-4-2-3-5-18(15)19-11-10-17(13)20(14)21(16)19/h2-12H,1H3 |
Properties
Mutagenicity: Mutagenicity on human h1A1v2 cells i
| Value | Source or prediction |
|---|---|
| yes |
experimental value |
| no |
k-NN: Full k-NN model (Training set) |
| yes |
CART: Full CART model (Training set) |