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:	5
	Name:	Trichlorfon
	Description:
	Labels:	Validation
	CAS:	52-68-6
	InChi Code:	InChI=1/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

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

Links to External Resources

Link	Resource description
DTXSID0021389	US EPA CompTox Dashboard