10967/186 - QDB Compounds

QsarDB Repository

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:25
Name:Naphtho[2,3-j]fluoranthene
Description:
Labels:
CAS:205-83-4
InChi Code:InChI=1S/C24H14/c1-2-6-17-14-22-18(13-16(17)5-1)11-12-20-19-9-3-7-15-8-4-10-21(23(15)19)24(20)22/h1-14H

Properties

Mutagenicity: Mutagenicity on human h1A1v2 cells i

ValueSource 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