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:	61
	Name:	Tribuphos
	Description:
	Labels:	Validation
	CAS:	78-48-8
	InChi Code:	InChI=1/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.7	experimental value
2.85	Eq1: Best externally predictive model (Validation set)
2.79	Eq2: Full model, including all data (Training set)
4.33	Tab2-9: Correlation with logKow (Validation set)
3.58	Tab2-10: Correlation with logSw (Validation set)
3.91	Tab2-11: logKow and aromaticity (Validation set)
3.29	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID1024174	US EPA CompTox Dashboard