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:	579
	Name:	2,5,2'-Trichlorobiphenyl
	Description:
	Labels:	Validation
	CAS:	37680-65-2
	InChi Code:	InChI=1/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.2	experimental value
4.23	Eq1: Best externally predictive model (Validation set)
4.21	Eq2: Full model, including all data (Training set)
4.27	Tab2-9: Correlation with logKow (Validation set)
4	Tab2-10: Correlation with logSw (Validation set)
4.44	Tab2-11: logKow and aromaticity (Validation set)
4.13	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID6073491	US EPA CompTox Dashboard