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: | 55 | |
|---|---|---|
| Name: | 4H-cyclopenta[def]-phenanthrene-4-one | |
| Description: | ||
| Labels: | ||
| CAS: | 5737-13-3 | |
| InChi Code: | InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H |
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) |