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:	475
	Name:	6-Chloropicolinic acid
	Description:
	Labels:	Validation
	CAS:	4684-94-0
	InChi Code:	InChI=1/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)/f/h9H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.2	experimental value
1.76	Eq1: Best externally predictive model (Validation set)
1.93	Eq2: Full model, including all data (Training set)
1.74	Tab2-9: Correlation with logKow (Validation set)
1.81	Tab2-10: Correlation with logSw (Validation set)
1.94	Tab2-11: logKow and aromaticity (Validation set)
1.96	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID7040289	US EPA CompTox Dashboard