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convert_mol_to_inchikey()
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exceptions.ChemicalConversionError
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bfs_search_classes_generator.tqdm_bfs_search_classes_generator()
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configure_logging()
convert_chemical_formula()
convert_classyfire_dict()
convert_inchi_to_inchikey()
convert_inchi_to_mass()
convert_inchi_to_mol()
convert_inchi_to_smiles()
convert_list_of_dict()
convert_mol_to_cxsmiles()
convert_mol_to_inchi()
convert_mol_to_inchikey()
convert_mol_to_smarts()
convert_mol_to_smiles()
convert_molblock_to_mol()
convert_smarts_to_mol()
convert_smiles_to_canonical_smiles()
convert_smiles_to_formula()
convert_smiles_to_inchi()
convert_smiles_to_mass()
convert_smiles_to_mol()
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split_csv()
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Constants
bfs_search_classes_generator.ClassDict
bfs_search_classes_generator.ClassHierarchy
bfs_search_classes_generator.MatchResult
bfs_search_classes_generator.c
bfs_search_classes_generator.class_hierarchy
bfs_search_classes_generator.classes
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Parameters
Returns
convert_mol_to_inchikey()
Convert an RDKit Mol object to an InChIKey.
Usage
Source
convert_mol_to_inchikey
(
mol
)
Parameters
mol
:
Mol
Mol object.
Returns
str
InChIKey string.