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:21
Name:Perylene
Description:
Labels:
CAS:198-55-0
InChi Code:InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H

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