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:	608
	Name:	Tridiphane
	Description:
	Labels:	Validation
	CAS:	58138-08-2
	InChi Code:	InChI=1/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.8	experimental value
4.25	Eq1: Best externally predictive model (Validation set)
4.28	Eq2: Full model, including all data (Training set)
4.01	Tab2-9: Correlation with logKow (Validation set)
4.03	Tab2-10: Correlation with logSw (Validation set)
3.88	Tab2-11: logKow and aromaticity (Validation set)
3.92	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8024365	US EPA CompTox Dashboard