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:	389
	Name:	Picloram
	Description:
	Labels:	Training
	CAS:	1918-02-1
	InChi Code:	InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)

Properties

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

Value	Source or prediction
3.6	experimental value
3.656	Tab2.1: Model with descriptors from DRAGON (Training set)
3.446	Tab2.2: Model with descriptors from PaDEL (Training set)
3.257	Tab2.3: Model from QSPR-THESAURUS (Training set)
3.453	Tab2.4: CONSENSUS model (Training set)

Links to External Resources

Link	Resource description
DTXSID1021160	US EPA CompTox Dashboard