- Create molecules from chemical names, "Chemical" entities or SMILES or InChI strings.»
- Create molecules with defined stereochemistry.»
- Manipulate structures by adding or removing atoms and bonds, changing stereochemistry and replacing entire substructures.»
- Create annotated 2D structure diagrams.»
- Generate molecular coordinates and create multiple 3D visualizations.»
- Symbolically represent complex substructures and functional groups.»
- Perform substructure searches.»
- Compute topological and geometric descriptors.»
- Generate graphs for chemical species.»
- Optimize molecules and compute energies using the MMFF94 model.»
