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:	559
	Name:	Acephate
	Description:
	Labels:	Training
	CAS:	30560-19-1
	InChi Code:	InChI=1/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)/f/h5H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
0.4	experimental value
0.97	Eq1: Best externally predictive model (Training set)
1.11	Eq2: Full model, including all data (Training set)
0.28	Tab2-9: Correlation with logKow (Training set)
0.53	Tab2-10: Correlation with logSw (Training set)
0.08	Tab2-11: logKow and aromaticity (Training set)
0.39	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID8023846	US EPA CompTox Dashboard