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:	214
	Name:	Aldicarb
	Description:
	Labels:	Validation
	CAS:	116-06-3
	InChi Code:	InChI=1/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+/f/h8H

Properties

logKoc: logarithm of soil sorption coefficient i

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

Links to External Resources

Link	Resource description
DTXSID0039223	US EPA CompTox Dashboard