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:	391
	Name:	5-Indanol
	Description:
	Labels:	Validation
	CAS:	1470-94-6
	InChi Code:	InChI=1/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.6	experimental value
2.08	Eq1: Best externally predictive model (Validation set)
2.11	Eq2: Full model, including all data (Training set)
2.35	Tab2-9: Correlation with logKow (Validation set)
1.68	Tab2-10: Correlation with logSw (Validation set)
2.47	Tab2-11: logKow and aromaticity (Validation set)
1.81	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID0051732	US EPA CompTox Dashboard