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:	464
	Name:	Asulam
	Description:
	Labels:	Validation
	CAS:	3337-71-1
	InChi Code:	InChI=1/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)/f/h10H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2	experimental value
1.52	Eq1: Best externally predictive model (Validation set)
1.69	Eq2: Full model, including all data (Training set)
0.64	Tab2-9: Correlation with logKow (Validation set)
1.74	Tab2-10: Correlation with logSw (Validation set)
0.75	Tab2-11: logKow and aromaticity (Validation set)
1.78	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8023890	US EPA CompTox Dashboard