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:	30
	Name:	Dichlorvos
	Description:
	Labels:	Validation
	CAS:	62-73-7
	InChi Code:	InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.7	experimental value
1.38	Eq1: Best externally predictive model (Validation set)
1.55	Eq2: Full model, including all data (Training set)
1.7	Tab2-9: Correlation with logKow (Validation set)
1.63	Tab2-10: Correlation with logSw (Validation set)
1.42	Tab2-11: logKow and aromaticity (Validation set)
1.44	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID5020449	US EPA CompTox Dashboard