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:	298
	Name:	Diazinon
	Description:
	Labels:	Validation
	CAS:	333-41-5
	InChi Code:	InChI=1/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.8	experimental value
3.29	Eq1: Best externally predictive model (Validation set)
3.37	Eq2: Full model, including all data (Training set)
3.17	Tab2-9: Correlation with logKow (Validation set)
2.9	Tab2-10: Correlation with logSw (Validation set)
3.06	Tab2-11: logKow and aromaticity (Validation set)
2.83	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID9020407	US EPA CompTox Dashboard