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:	469
	Name:	4-Biphenylmethanol
	Description:
	Labels:	Validation
	CAS:	3597-91-9
	InChi Code:	InChI=1/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.6	experimental value
3.16	Eq1: Best externally predictive model (Validation set)
3.16	Eq2: Full model, including all data (Training set)
2.57	Tab2-9: Correlation with logKow (Validation set)
2.23	Tab2-10: Correlation with logSw (Validation set)
2.87	Tab2-11: logKow and aromaticity (Validation set)
2.47	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID5075234	US EPA CompTox Dashboard