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:40
Name:Phenalenone
Description:
Labels:
CAS:548-39-0
InChi Code:InChI=1S/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H

Properties

Mutagenicity: Mutagenicity on human h1A1v2 cells i

ValueSource or prediction
yes

experimental value

no

k-NN: Full k-NN model (Training set)

no

CART: Full CART model (Training set)

Links to External Resources