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:	501
	Name:	Methamidophos
	Description:
	Labels:	Validation
	CAS:	10265-92-6
	InChi Code:	InChI=1/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)/f/h3H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
0.7	experimental value
0.58	Eq1: Best externally predictive model (Validation set)
0.75	Eq2: Full model, including all data (Training set)
0.32	Tab2-9: Correlation with logKow (Validation set)
0.47	Tab2-10: Correlation with logSw (Validation set)
0.13	Tab2-11: logKow and aromaticity (Validation set)
0.34	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID6024177	US EPA CompTox Dashboard