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:	263
	Name:	3-Methoxyphenol
	Description:
	Labels:	Validation
	CAS:	150-19-6
	InChi Code:	InChI=1/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.5	experimental value
1.59	Eq1: Best externally predictive model (Validation set)
1.68	Eq2: Full model, including all data (Training set)
1.79	Tab2-9: Correlation with logKow (Validation set)
2.29	Tab2-10: Correlation with logSw (Validation set)
2.04	Tab2-11: logKow and aromaticity (Validation set)
2.45	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID0022012	US EPA CompTox Dashboard