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:	404
	Name:	Diamidafos
	Description:
	Labels:	Validation
	CAS:	1754-58-1
	InChi Code:	InChI=1/C8H13N2O2P/c1-9-13(11,10-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,11)/f/h9-10H

Properties

logKoc: logarithm of soil sorption coefficient i

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

Links to External Resources

Link	Resource description
DTXSID6041846	US EPA CompTox Dashboard