Preprocessing

Classes for preprocessing molecules.

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ConformerGenerator	Generate molecule conformer.
MolFromSmilesTransformer	Creates RDKit Mol objects from SMILES strings.
MolStandardizer	Performs common molecule standardization operations.
MolToSmilesTransformer	Creates SMILES strings from RDKit Mol objects.

Molecular filters:

BasicZINCFilter	Basic ZINC filter.
BMSFilter	BMS filter.
BrenkFilter	Brenk filter.
GlaxoFilter	Glaxo filter.
InpharmaticaFilter	Inpharmatica filter.
LINTFilter	LINT filter.
LipinskiFilter	Lipinski's Rule of 5 (RO5).
MLSMRFilter	MLSMR filter.
MolecularWeightFilter	Molecular weight filter.
NIHFilter	NIH filter.
PAINSFilter	Pan Assay Interference Compounds (PAINS) filter.
SureChEMBLFilter	SureChEMBL filter.