Gramatica, P.; Cassani, S.; Roy, P. P.; Kovarich, S.; Yap, C. W.; Papa, E. QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo-)triazoles on Algae. Molecular Informatics 2012, 31, 817–835.

Compound

	ID:	364
	Name:	Pyroxsulam
	Description:
	Labels:	Training
	CAS:	422556-08-9
	InChi Code:	InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)

Properties

pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)] i

Value	Source or prediction
6.51	experimental value
5.972	Tab2.1: Model with descriptors from DRAGON (Training set)
5.889	Tab2.2: Model with descriptors from PaDEL (Training set)
6.178	Tab2.3: Model from QSPR-THESAURUS (Training set)
6.013	Tab2.4: CONSENSUS model (Training set)

Links to External Resources

Link	Resource description
DTXSID7044344	US EPA CompTox Dashboard