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: | 64 | |
|---|---|---|
| Name: | 1,6-Dinitropyrene | |
| Description: | ||
| Labels: | ||
| CAS: | 42397-64-8 | |
| InChi Code: | InChI=1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)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 |
|---|---|
| DTXSID90872819 | US EPA CompTox Dashboard |