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: | 65 | |
|---|---|---|
| Name: | 1,8-Dinitropyrene | |
| Description: | ||
| Labels: | ||
| CAS: | 42397-65-9 | |
| InChi Code: | InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H |
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 |
|---|---|
| DTXSID2073514 | US EPA CompTox Dashboard |