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:	511
	Name:	Ethoprophos
	Description:
	Labels:	Validation
	CAS:	13194-48-4
	InChi Code:	InChI=1/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.8	experimental value
1.88	Eq1: Best externally predictive model (Validation set)
1.91	Eq2: Full model, including all data (Training set)
3.03	Tab2-9: Correlation with logKow (Validation set)
2.19	Tab2-10: Correlation with logSw (Validation set)
2.68	Tab2-11: logKow and aromaticity (Validation set)
1.97	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID4032611	US EPA CompTox Dashboard