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:	303
	Name:	2,2'-Bipyridine
	Description:
	Labels:	Validation
	CAS:	366-18-7
	InChi Code:	InChI=1/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.6	experimental value
2.99	Eq1: Best externally predictive model (Validation set)
3.05	Eq2: Full model, including all data (Training set)
1.74	Tab2-9: Correlation with logKow (Validation set)
1.7	Tab2-10: Correlation with logSw (Validation set)
2.19	Tab2-11: logKow and aromaticity (Validation set)
2.04	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID9040635	US EPA CompTox Dashboard