10967/135 - QDB Compounds

QsarDB Repository

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:30
Name:Dichlorvos
Description:
Labels:Validation
CAS:62-73-7
InChi Code:InChI=1/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

ValueSource or prediction
1.7

experimental value

1.38

Eq1: Best externally predictive model (Validation set)

1.55

Eq2: Full model, including all data (Training set)

1.7

Tab2-9: Correlation with logKow (Validation set)

1.63

Tab2-10: Correlation with logSw (Validation set)

1.42

Tab2-11: logKow and aromaticity (Validation set)

1.44

Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources