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:	51
	Name:	Ethylene Oxide
	Description:
	Labels:	Validation
	CAS:	75-21-8
	InChi Code:	InChI=1/C2H4O/c1-2-3-1/h1-2H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
0.3	experimental value
0.33	Eq1: Best externally predictive model (Validation set)
0.5	Eq2: Full model, including all data (Training set)
0.63	Tab2-9: Correlation with logKow (Validation set)
0.47	Tab2-10: Correlation with logSw (Validation set)
0.42	Tab2-11: logKow and aromaticity (Validation set)
0.34	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID0020600	US EPA CompTox Dashboard