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:	258
	Name:	Chlordecone
	Description:
	Labels:	Validation
	CAS:	143-50-0
	InChi Code:	InChI=1/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.2	experimental value
4.14	Eq1: Best externally predictive model (Validation set)
4.14	Eq2: Full model, including all data (Training set)
4.16	Tab2-9: Correlation with logKow (Validation set)
3.54	Tab2-10: Correlation with logSw (Validation set)
3.74	Tab2-11: logKow and aromaticity (Validation set)
3.26	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID1020770	US EPA CompTox Dashboard