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:	599
	Name:	Permethrin
	Description:
	Labels:	Validation
	CAS:	52645-53-1
	InChi Code:	InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4	experimental value
4.36	Eq1: Best externally predictive model (Validation set)
4.35	Eq2: Full model, including all data (Training set)
4.83	Tab2-9: Correlation with logKow (Validation set)
5.01	Tab2-10: Correlation with logSw (Validation set)
4.71	Tab2-11: logKow and aromaticity (Validation set)
4.89	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8022292	US EPA CompTox Dashboard