Man pages for nanxstats/tidychem
Tidy Chemical Data
| desc_2d | Compute all 2D molecular descriptors |
| desc_3d | Compute all 3D molecular descriptors. |
| fp_atompair | Compute atom pairs fingerprints |
| fp_erg | Compute extended reduced graphs fingerprints derived from the... |
| fp_maccs | Compute MACCS keys as molecular fingerprints |
| fp_morgan | Compute Morgan fingerprints (circular fingerprints). |
| fp_pattern | Compute pattern fingerprints, a topological fingerprint... |
| fp_pharm2d | Compute 2D pharmacophore fingerprints. |
| fp_rdkit | Compute RDKit fingerprints |
| fp_torsion | Compute topological torsions fingerprints. |
| get_alldesc_2d | Get all available 2D descriptor names |
| install_rdkit | Install rdkit and its dependencies |
| is_installed_rdkit | Is rdkit installed? |
| parse_sdf | Parse molecules from SDF/MOL text block. |
| parse_smiles | Parse molecules from SMILES strings |
| print.tidydesc | Print molecular descriptors object. |
| print.tidyfps | Print molecular fingerprints object. |
| print.tidymol | Print parsed molecules object. |
| rdkit | Global reference to RDKit |
| rdkit_version | Get RDKit version. |
| read_sdf | Read molecules from a SDF/MOL file. |
| read_smiles | Read molecules from a SMILES file. |
| sim | Calculate fingerprint similarity. |
| tidychem_example | Generate path to the example data. |
| tidychem-package | tidychem: Tidy Chemical Data |
