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: | 63 | |
|---|---|---|
| Name: | 4,5-Benzo[a]pyrenequinone | |
| Description: | ||
| Labels: | ||
| CAS: | 42286-46-4 | |
| InChi Code: | InChI=1S/C20H10O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10H |
Properties
Mutagenicity: Mutagenicity on human h1A1v2 cells i
| Value | Source or prediction |
|---|---|
| no |
experimental value |
| no |
k-NN: Full k-NN model (Training set) |
| no |
CART: Full CART model (Training set) |