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:	413
	Name:	Dicamba
	Description:
	Labels:	Validation
	CAS:	1918-00-9
	InChi Code:	InChI=1/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)/f/h11H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.5	experimental value
2.31	Eq1: Best externally predictive model (Validation set)
2.42	Eq2: Full model, including all data (Training set)
2.18	Tab2-9: Correlation with logKow (Validation set)
1.62	Tab2-10: Correlation with logSw (Validation set)
2.24	Tab2-11: logKow and aromaticity (Validation set)
1.7	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID4024018	US EPA CompTox Dashboard