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:	184
	Name:	Epichlorohydrin
	Description:
	Labels:	Validation
	CAS:	106-89-8
	InChi Code:	InChI=1/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1	experimental value
1.2	Eq1: Best externally predictive model (Validation set)
1.34	Eq2: Full model, including all data (Training set)
1.09	Tab2-9: Correlation with logKow (Validation set)
1.12	Tab2-10: Correlation with logSw (Validation set)
0.85	Tab2-11: logKow and aromaticity (Validation set)
0.96	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID1020566	US EPA CompTox Dashboard