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:	169
	Name:	2-Pyridineethanol
	Description:
	Labels:	Validation
	CAS:	103-74-2
	InChi Code:	InChI=1/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.5	experimental value
1.71	Eq1: Best externally predictive model (Validation set)
1.79	Eq2: Full model, including all data (Training set)
0.89	Tab2-9: Correlation with logKow (Validation set)
0.47	Tab2-10: Correlation with logSw (Validation set)
1.19	Tab2-11: logKow and aromaticity (Validation set)
0.73	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID2044767	US EPA CompTox Dashboard