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:	452
	Name:	Etridiazole
	Description:
	Labels:	Validation
	CAS:	2593-15-9
	InChi Code:	InChI=1/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3	experimental value
2.89	Eq1: Best externally predictive model (Validation set)
3.04	Eq2: Full model, including all data (Training set)
2.89	Tab2-9: Correlation with logKow (Validation set)
2.64	Tab2-10: Correlation with logSw (Validation set)
2.88	Tab2-11: logKow and aromaticity (Validation set)
2.64	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID3032547	US EPA CompTox Dashboard