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:	486
	Name:	3,5,6-trichloro-2-pyridinol
	Description:
	Labels:	Validation
	CAS:	6515-38-4
	InChi Code:	InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.1	experimental value
2.31	Eq1: Best externally predictive model (Validation set)
2.47	Eq2: Full model, including all data (Training set)
2.8	Tab2-9: Correlation with logKow (Validation set)
2.73	Tab2-10: Correlation with logSw (Validation set)
2.93	Tab2-11: logKow and aromaticity (Validation set)
2.83	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID7038317	US EPA CompTox Dashboard