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:	570
	Name:	2,4'-Dichlorobiphenyl
	Description:
	Labels:	Validation
	CAS:	34883-43-7
	InChi Code:	InChI=1/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.1	experimental value
3.93	Eq1: Best externally predictive model (Validation set)
3.91	Eq2: Full model, including all data (Training set)
3.96	Tab2-9: Correlation with logKow (Validation set)
3.74	Tab2-10: Correlation with logSw (Validation set)
4.19	Tab2-11: logKow and aromaticity (Validation set)
3.91	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID0022511	US EPA CompTox Dashboard