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:	506
	Name:	Terbufos
	Description:
	Labels:	Validation
	CAS:	13071-79-9
	InChi Code:	InChI=1/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.8	experimental value
3.34	Eq1: Best externally predictive model (Validation set)
3.35	Eq2: Full model, including all data (Training set)
3.58	Tab2-9: Correlation with logKow (Validation set)
3.39	Tab2-10: Correlation with logSw (Validation set)
3.2	Tab2-11: logKow and aromaticity (Validation set)
3.11	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID2022254	US EPA CompTox Dashboard