Structure search


There are different ways to start the classification.
  • Search a compound by its name via PubChem
  • Create a structure by a SMILES string
  • Draw your structure
  • Load a molecule by clicking on
Watch a short example video or go to the FAQs .


Pubchem-Name: e.g. Skatole
Smiles: e.g. CC1=CNC2=CC=CC=C12