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:	225
	Name:	Ethyl 4-hydroxybenzoate
	Description:
	Labels:	Validation
	CAS:	120-47-8
	InChi Code:	InChI=1/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.2	experimental value
1.71	Eq1: Best externally predictive model (Validation set)
1.79	Eq2: Full model, including all data (Training set)
2.34	Tab2-9: Correlation with logKow (Validation set)
2.15	Tab2-10: Correlation with logSw (Validation set)
2.42	Tab2-11: logKow and aromaticity (Validation set)
2.23	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID9022528	US EPA CompTox Dashboard