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| draw.molecule | Edit a 2D Molecular Structure |
| eval.desc | Evaluate a Molecular Descriptor |
| get.desc.classnames | Get Descriptor Class Names |
| get.desc.engine | Get the Descriptor Engine |
| get.desc.values | Extract Descriptor Values |
| get.fingerprint | Evaluate Fingerprints |
| get.property | Get the Value of a Molecule Property |
| get.smiles | Get the SMILES for a Molecule |
| get.total.charge | Get the Total Charge for the Molecule |
| get.total.hydrogen.count | Get the Total Hydrogen Count for a Molecule |
| load.molecules | Load Molecular Structure From Disk |
| parse.smiles | Parse a SMILES String |
| remove.hydrogens | Remove Hydrogens from a Molecule |
| remove.property | Remove A Property From a Molecule |
| set.property | Set A Property On A Molecule |
| view.molecule.2d | View 2D Structure Diagrams |
| view.molecule.3d | View a 3D Molecular Structure |
| view.molecule.table | View Multiple 3D Structure and Associated Data |
| write.molecules | Write Molecules To Disk |