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:	101
	Name:	Naphthalene
	Description:
	Labels:	Validation
	CAS:	91-20-3
	InChi Code:	InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.1	experimental value
3.32	Eq1: Best externally predictive model (Validation set)
3.32	Eq2: Full model, including all data (Training set)
2.85	Tab2-9: Correlation with logKow (Validation set)
2.96	Tab2-10: Correlation with logSw (Validation set)
3.3	Tab2-11: logKow and aromaticity (Validation set)
3.28	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8020913	US EPA CompTox Dashboard