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: | 66 | |
|---|---|---|
| Name: | Cyclopenta[cd]pyren-3(4H)-one | |
| Description: | ||
| Labels: | ||
| CAS: | 69795-70-6 | |
| InChi Code: | InChI=1S/C18H10O/c19-15-9-13-8-12-3-1-2-10-4-5-11-6-7-14(15)17(13)18(11)16(10)12/h1-8H,9H2 |
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) |