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:	367
	Name:	Carbophenothion
	Description:
	Labels:	Validation
	CAS:	786-19-6
	InChi Code:	InChI=1/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.7	experimental value
4.22	Eq1: Best externally predictive model (Validation set)
4.24	Eq2: Full model, including all data (Training set)
4.31	Tab2-9: Correlation with logKow (Validation set)
3.89	Tab2-10: Correlation with logSw (Validation set)
4.15	Tab2-11: logKow and aromaticity (Validation set)
3.78	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID7022120	US EPA CompTox Dashboard