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: | 16 | |
|---|---|---|
| Name: | Dibenzo[a,e]pyrene | |
| Description: | ||
| Labels: | ||
| CAS: | 192-65-4 | |
| InChi Code: | InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H |
Properties
Mutagenicity: Mutagenicity on human h1A1v2 cells i
| Value | Source or prediction |
|---|---|
| yes |
experimental value |
| yes |
k-NN: Full k-NN model (Training set) |
| yes |
CART: Full CART model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3052690 | US EPA CompTox Dashboard |