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:	212
	Name:	Dicofol
	Description:
	Labels:	Validation
	CAS:	115-32-2
	InChi Code:	InChI=1/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.7	experimental value
4.11	Eq1: Best externally predictive model (Validation set)
4.11	Eq2: Full model, including all data (Training set)
3.91	Tab2-9: Correlation with logKow (Validation set)
3.84	Tab2-10: Correlation with logSw (Validation set)
3.96	Tab2-11: logKow and aromaticity (Validation set)
3.87	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID4020450	US EPA CompTox Dashboard