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:	390
	Name:	9-Anthracenemethanol
	Description:
	Labels:	Training
	CAS:	1468-95-7
	InChi Code:	InChI=1/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.6	experimental value
3.48	Eq1: Best externally predictive model (Training set)
3.46	Eq2: Full model, including all data (Training set)
2.68	Tab2-9: Correlation with logKow (Training set)
3	Tab2-10: Correlation with logSw (Training set)
3.03	Tab2-11: logKow and aromaticity (Training set)
3.25	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID1049221	US EPA CompTox Dashboard