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:	574
	Name:	Imazalil
	Description:
	Labels:	Validation
	CAS:	35554-44-0
	InChi Code:	InChI=1/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.7	experimental value
4.33	Eq1: Best externally predictive model (Validation set)
4.34	Eq2: Full model, including all data (Training set)
3.17	Tab2-9: Correlation with logKow (Validation set)
2.53	Tab2-10: Correlation with logSw (Validation set)
3.25	Tab2-11: logKow and aromaticity (Validation set)
2.62	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8024151	US EPA CompTox Dashboard