ToxAlerts: Compounds screening

Provide the compounds to screen against the structural alerts

Upload compounds from a file
SDF, MOL2, SMILES or an Excel sheet
Draw Molecule
click on depiction to the right to draw
Name/CASRN/SMILES:
e.g., "CC=CCC" or "Aspirine"
Choose a previously prepared set: [...]
Select molecules by a tag: [...]
Preprocessing of molecules
Choose your preferred standardizer:
Standardization
Neutralize
Remove salts

Clean structure


Select the structural alerts

Publication 
Endpoint 
 Only approved alerts
 Only 0 selected alerts