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:	573
	Name:	Sulprofos
	Description:
	Labels:	Validation
	CAS:	35400-43-2
	InChi Code:	InChI=1/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.3	experimental value
3.98	Eq1: Best externally predictive model (Validation set)
3.98	Eq2: Full model, including all data (Training set)
4.2	Tab2-9: Correlation with logKow (Validation set)
4.06	Tab2-10: Correlation with logSw (Validation set)
4.04	Tab2-11: logKow and aromaticity (Validation set)
3.94	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8032675	US EPA CompTox Dashboard