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:	109
	Name:	Phenazine
	Description:
	Labels:	Validation
	CAS:	92-82-0
	InChi Code:	InChI=1/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.4	experimental value
3.41	Eq1: Best externally predictive model (Validation set)
3.45	Eq2: Full model, including all data (Training set)
2.57	Tab2-9: Correlation with logKow (Validation set)
3.12	Tab2-10: Correlation with logSw (Validation set)
3.03	Tab2-11: logKow and aromaticity (Validation set)
3.43	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID2059069	US EPA CompTox Dashboard