Gramatica, P.; Giani, E.; Papa, E. Statistical external validation and consensus modeling: A QSPR case study for Koc prediction. J. Mol. Graph. Model. 2007, 25, 6, 755–766.

Compound

	ID:	429
	Name:	4,4'-Dichlorobiphenyl
	Description:
	Labels:	Validation
	CAS:	2050-68-2
	InChi Code:	InChI=1/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.3	experimental value
4	Eq1: Best externally predictive model (Validation set)
3.98	Eq2: Full model, including all data (Training set)
4.04	Tab2-9: Correlation with logKow (Validation set)
4.45	Tab2-10: Correlation with logSw (Validation set)
4.26	Tab2-11: logKow and aromaticity (Validation set)
4.58	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID0022515	US EPA CompTox Dashboard