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:	283
	Name:	Acridine
	Description:
	Labels:	Validation
	CAS:	260-94-6
	InChi Code:	InChI=1/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.1	experimental value
3.67	Eq1: Best externally predictive model (Validation set)
3.66	Eq2: Full model, including all data (Training set)
2.91	Tab2-9: Correlation with logKow (Validation set)
2.91	Tab2-10: Correlation with logSw (Validation set)
3.36	Tab2-11: logKow and aromaticity (Validation set)
3.23	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8059766	US EPA CompTox Dashboard