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:	611
	Name:	Fenarimol
	Description:
	Labels:	Validation
	CAS:	60168-88-9
	InChi Code:	InChI=1/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H

Properties

logKoc: logarithm of soil sorption coefficient i

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

Links to External Resources

Link	Resource description
DTXSID2032390	US EPA CompTox Dashboard