10967/181 - QDB Compounds

QsarDB Repository

Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.

Compound

ID:170
Name:2,8-dichlorodibenzofuran
Description:
Labels:Validation
CAS:5409-83-6
InChi Code:InChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
2.52

experimental value

2.991

Eq1: Full model (Training set)

2.987

Eq2: Split model (Validation set)