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:	8
	Name:	Benzamide
	Description:
	Labels:	Validation
	CAS:	55-21-0
	InChi Code:	InChI=1/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)/f/h8H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.5	experimental value
1.5	Eq1: Best externally predictive model (Validation set)
1.6	Eq2: Full model, including all data (Training set)
1.21	Tab2-9: Correlation with logKow (Validation set)
1.5	Tab2-10: Correlation with logSw (Validation set)
1.49	Tab2-11: logKow and aromaticity (Validation set)
1.71	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID0021709	US EPA CompTox Dashboard