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:	153
	Name:	Benzyl alcohol
	Description:
	Labels:	Validation
	CAS:	100-51-6
	InChi Code:	InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
0.7	experimental value
1.67	Eq1: Best externally predictive model (Validation set)
1.73	Eq2: Full model, including all data (Training set)
1.49	Tab2-9: Correlation with logKow (Validation set)
1.23	Tab2-10: Correlation with logSw (Validation set)
1.82	Tab2-11: logKow and aromaticity (Validation set)
1.49	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID5020152	US EPA CompTox Dashboard