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:	561
	Name:	Fenamiphos Sulfone
	Description:
	Labels:	Validation
	CAS:	31972-44-8
	InChi Code:	InChI=1/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)/f/h14H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.6	experimental value
2.35	Eq1: Best externally predictive model (Validation set)
2.45	Eq2: Full model, including all data (Training set)
1.38	Tab2-9: Correlation with logKow (Validation set)
2.24	Tab2-10: Correlation with logSw (Validation set)
1.35	Tab2-11: logKow and aromaticity (Validation set)
2.18	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID3037547	US EPA CompTox Dashboard