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:	489
	Name:	2,4,4'-Trichlorobiphenyl
	Description:
	Labels:	Validation
	CAS:	7012-37-5
	InChi Code:	InChI=1/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H

Properties

logKoc: logarithm of soil sorption coefficient i

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

Links to External Resources

Link	Resource description
DTXSID2038310	US EPA CompTox Dashboard