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:	401
	Name:	Flonicamid
	Description:
	Labels:	Training
	CAS:	158062-67-0
	InChi Code:	InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)

Properties

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

Value	Source or prediction
3.36	experimental value
3.71	Tab2.1: Model with descriptors from DRAGON (Training set)
3.696	Tab2.2: Model with descriptors from PaDEL (Training set)
4.086	Tab2.3: Model from QSPR-THESAURUS (Training set)
3.831	Tab2.4: CONSENSUS model (Training set)

Links to External Resources

Link	Resource description
DTXSID8034611	US EPA CompTox Dashboard