Column and Data Types¶
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class
razi.chemtypes.
Molecule
(chemical_index=True, **kwargs)¶ Molecule column type for chemical databases.
Represents a molecular structure.
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class
razi.chemtypes.
QMolecule
(**kwargs)¶ QMolecule column type for chemical databases.
Represents a query molecule (a structural pattern, e.g. a SMARTS equivalent).
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class
razi.chemtypes.
BitFingerprint
(chemical_index=True, **kwargs)¶ Bitstring fingerprint column type for chemical databases.
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class
razi.chemtypes.
CntFingerprint
(chemical_index=True, **kwargs)¶ Count vector fingerprint column type for chemical databases.