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:	380
	Name:	Diphenamid
	Description:
	Labels:	Validation
	CAS:	957-51-7
	InChi Code:	InChI=1/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.1	experimental value
3	Eq1: Best externally predictive model (Validation set)
3	Eq2: Full model, including all data (Training set)
2.58	Tab2-9: Correlation with logKow (Validation set)
2.45	Tab2-10: Correlation with logSw (Validation set)
2.75	Tab2-11: logKow and aromaticity (Validation set)
2.59	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8024072	US EPA CompTox Dashboard