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:	238
	Name:	Maleic hydrazine
	Description:
	Labels:	Validation
	CAS:	123-33-1
	InChi Code:	InChI=1/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)/f/h5-6H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
0.5	experimental value
0.8	Eq1: Best externally predictive model (Validation set)
1.01	Eq2: Full model, including all data (Training set)
0.29	Tab2-9: Correlation with logKow (Validation set)
1.77	Tab2-10: Correlation with logSw (Validation set)
0.1	Tab2-11: logKow and aromaticity (Validation set)
1.57	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID9020792	US EPA CompTox Dashboard