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: | 44 | |
|---|---|---|
| Name: | 2-Nitropyrene | |
| Description: | ||
| Labels: | ||
| CAS: | 789-07-1 | |
| InChi Code: | InChI=1S/C16H9NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H |
Properties
Mutagenicity: Mutagenicity on human h1A1v2 cells i
| Value | Source or prediction |
|---|---|
| no |
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 |
|---|---|
| DTXSID30229368 | US EPA CompTox Dashboard |