Index

_

_parse_v_1976_to_2016_cml_by_20121009_lowe_d_m_file() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method)

_parse_v_release_file() (data_source.reaction.ord.utility.formatting.OpenReactionDatabaseFormattingUtility static method) (data_source.reaction.ord.utility.OpenReactionDatabaseFormattingUtility static method)

C

ChEMBLCompoundDatabase (class in data_source.compound.chembl) (class in data_source.compound.chembl.chembl) ChEMBLCompoundDatabaseDownloadUtility (class in data_source.compound.chembl.utility) (class in data_source.compound.chembl.utility.download) ChEMBLCompoundDatabaseExtractionUtility (class in data_source.compound.chembl.utility) (class in data_source.compound.chembl.utility.extraction) ChEMBLCompoundDatabaseFormattingUtility (class in data_source.compound.chembl.utility) (class in data_source.compound.chembl.utility.formatting) ChemicalReactionDatabase (class in data_source.reaction.crd) (class in data_source.reaction.crd.crd) ChemicalReactionDatabaseDownloadUtility (class in data_source.reaction.crd.utility) (class in data_source.reaction.crd.utility.download) ChemicalReactionDatabaseExtractionUtility (class in data_source.reaction.crd.utility) (class in data_source.reaction.crd.utility.extraction)

ChemicalReactionDatabaseFormattingUtility (class in data_source.reaction.crd.utility) (class in data_source.reaction.crd.utility.formatting) COCONUTCompoundDatabase (class in data_source.compound.coconut) (class in data_source.compound.coconut.coconut) COCONUTCompoundDatabaseDownloadUtility (class in data_source.compound.coconut.utility) (class in data_source.compound.coconut.utility.download) COCONUTCompoundDatabaseExtractionUtility (class in data_source.compound.coconut.utility) (class in data_source.compound.coconut.utility.extraction) COCONUTCompoundDatabaseFormattingUtility (class in data_source.compound.coconut.utility) (class in data_source.compound.coconut.utility.formatting) CompoundDataSource (class in data_source.compound) (class in data_source.compound.compound) CompoundPatternDataSource (class in data_source.compound_pattern) (class in data_source.compound_pattern.compound_pattern)

D

data_source module data_source.base module data_source.base.base module data_source.base.utility module data_source.base.utility.download module data_source.compound module data_source.compound.chembl module data_source.compound.chembl.chembl module data_source.compound.chembl.utility module data_source.compound.chembl.utility.download module data_source.compound.chembl.utility.extraction module data_source.compound.chembl.utility.formatting module data_source.compound.coconut module data_source.compound.coconut.coconut module data_source.compound.coconut.utility module data_source.compound.coconut.utility.download module data_source.compound.coconut.utility.extraction module data_source.compound.coconut.utility.formatting module data_source.compound.compound module data_source.compound.miscellaneous module data_source.compound.miscellaneous.miscellaneous module data_source.compound.miscellaneous.utility module data_source.compound.miscellaneous.utility.download module data_source.compound.miscellaneous.utility.extraction module data_source.compound.miscellaneous.utility.formatting module data_source.compound.zinc module data_source.compound.zinc.utility module data_source.compound.zinc.utility.download module data_source.compound.zinc.utility.extraction module data_source.compound.zinc.utility.formatting module data_source.compound.zinc.zinc module data_source.compound_pattern module data_source.compound_pattern.compound_pattern module data_source.compound_pattern.rdkit module data_source.compound_pattern.rdkit.rdkit module data_source.compound_pattern.rdkit.utility module data_source.compound_pattern.rdkit.utility.download module data_source.compound_pattern.rdkit.utility.extraction module data_source.compound_pattern.rdkit.utility.formatting module data_source.reaction module data_source.reaction.crd module data_source.reaction.crd.crd module data_source.reaction.crd.utility module data_source.reaction.crd.utility.download module data_source.reaction.crd.utility.extraction module data_source.reaction.crd.utility.formatting module data_source.reaction.miscellaneous module data_source.reaction.miscellaneous.miscellaneous module data_source.reaction.miscellaneous.utility module data_source.reaction.miscellaneous.utility.download module data_source.reaction.miscellaneous.utility.extraction module data_source.reaction.miscellaneous.utility.formatting module data_source.reaction.ord module data_source.reaction.ord.ord module data_source.reaction.ord.utility module data_source.reaction.ord.utility.download module data_source.reaction.ord.utility.extraction module data_source.reaction.ord.utility.formatting module data_source.reaction.reaction module data_source.reaction.rhea module data_source.reaction.rhea.rhea module data_source.reaction.rhea.utility module data_source.reaction.rhea.utility.download module data_source.reaction.rhea.utility.extraction module data_source.reaction.rhea.utility.formatting module data_source.reaction.uspto module data_source.reaction.uspto.uspto module data_source.reaction.uspto.utility module data_source.reaction.uspto.utility.download module

data_source.reaction.uspto.utility.extraction module data_source.reaction.uspto.utility.formatting module data_source.reaction_pattern module data_source.reaction_pattern.miscellaneous module data_source.reaction_pattern.miscellaneous.miscellaneous module data_source.reaction_pattern.miscellaneous.utility module data_source.reaction_pattern.miscellaneous.utility.download module data_source.reaction_pattern.miscellaneous.utility.extraction module data_source.reaction_pattern.miscellaneous.utility.formatting module data_source.reaction_pattern.reaction_pattern module data_source.reaction_pattern.retro_rules module data_source.reaction_pattern.retro_rules.retro_rules module data_source.reaction_pattern.retro_rules.utility module data_source.reaction_pattern.retro_rules.utility.download module data_source.reaction_pattern.retro_rules.utility.extraction module data_source.reaction_pattern.retro_rules.utility.formatting module DataSourceBase (class in data_source.base) (class in data_source.base.base) DataSourceDownloadUtility (class in data_source.base.utility) (class in data_source.base.utility.download) download() (data_source.base.base.DataSourceBase method) (data_source.base.DataSourceBase method) (data_source.compound.chembl.chembl.ChEMBLCompoundDatabase method) (data_source.compound.chembl.ChEMBLCompoundDatabase method) (data_source.compound.coconut.coconut.COCONUTCompoundDatabase method) (data_source.compound.coconut.COCONUTCompoundDatabase method) (data_source.compound.compound.CompoundDataSource method) (data_source.compound.CompoundDataSource method) (data_source.compound.miscellaneous.miscellaneous.MiscellaneousCompoundDataSource method) (data_source.compound.miscellaneous.MiscellaneousCompoundDataSource method) (data_source.compound.zinc.zinc.ZINCCompoundDatabase method) (data_source.compound.zinc.ZINCCompoundDatabase method) (data_source.compound_pattern.compound_pattern.CompoundPatternDataSource method) (data_source.compound_pattern.CompoundPatternDataSource method) (data_source.compound_pattern.rdkit.rdkit.RDKitCompoundPatternDataset method) (data_source.compound_pattern.rdkit.RDKitCompoundPatternDataset method) (data_source.reaction.crd.ChemicalReactionDatabase method) (data_source.reaction.crd.crd.ChemicalReactionDatabase method) (data_source.reaction.miscellaneous.miscellaneous.MiscellaneousReactionDataSource method) (data_source.reaction.miscellaneous.MiscellaneousReactionDataSource method) (data_source.reaction.ord.OpenReactionDatabase method) (data_source.reaction.ord.ord.OpenReactionDatabase method) (data_source.reaction.reaction.ReactionDataSource method) (data_source.reaction.ReactionDataSource method) (data_source.reaction.rhea.rhea.RheaReactionDatabase method) (data_source.reaction.rhea.RheaReactionDatabase method) (data_source.reaction.uspto.uspto.USPTOReactionDataset method) (data_source.reaction.uspto.USPTOReactionDataset method) (data_source.reaction_pattern.miscellaneous.miscellaneous.MiscellaneousReactionPatternDataSource method) (data_source.reaction_pattern.miscellaneous.MiscellaneousReactionPatternDataSource method) (data_source.reaction_pattern.reaction_pattern.ReactionPatternDataSource method) (data_source.reaction_pattern.ReactionPatternDataSource method) (data_source.reaction_pattern.retro_rules.retro_rules.RetroRulesReactionPatternDatabase method) (data_source.reaction_pattern.retro_rules.RetroRulesReactionPatternDatabase method) download_file() (data_source.base.utility.DataSourceDownloadUtility static method) (data_source.base.utility.download.DataSourceDownloadUtility static method) download_v_15k_by_20170418_coley_c_w_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_1976_to_2013_by_20121009_lowe_d_m() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_1976_to_2016_by_20121009_lowe_d_m() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_1976_to_2016_remapped_by_20210407_schwaller_p_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_1k_tpl_by_20210128_schwaller_p_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_20131008_kraut_h_et_al() (data_source.reaction.miscellaneous.utility.download.MiscellaneousReactionDataSourceDownloadUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceDownloadUtility static method) download_v_20161014_wei_j_n_et_al() (data_source.reaction.miscellaneous.utility.download.MiscellaneousReactionDataSourceDownloadUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceDownloadUtility static method) download_v_20200508_grambow_c_et_al() (data_source.reaction.miscellaneous.utility.download.MiscellaneousReactionDataSourceDownloadUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceDownloadUtility static method) download_v_2_0_by_20241126_chandrasekhar_v_et_al() (data_source.compound.coconut.utility.COCONUTCompoundDatabaseDownloadUtility static method) (data_source.compound.coconut.utility.download.COCONUTCompoundDatabaseDownloadUtility static method) download_v_480k_or_mit_by_20171204_jin_w_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_50k_by_20141226_schneider_n_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_50k_by_20161122_schneider_n_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_50k_by_20170905_liu_b_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_50k_by_20171116_coley_c_w_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_auto_template_by_20240627_chen_l_and_li_y() (data_source.reaction_pattern.miscellaneous.utility.download.MiscellaneousReactionPatternDataSourceDownloadUtility static method) (data_source.reaction_pattern.miscellaneous.utility.MiscellaneousReactionPatternDataSourceDownloadUtility static method) download_v_building_block() (data_source.compound.zinc.utility.download.ZINCCompoundDatabaseDownloadUtility static method) (data_source.compound.zinc.utility.ZINCCompoundDatabaseDownloadUtility static method) download_v_by_20180622_schwaller_p_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_catalog() (data_source.compound.zinc.utility.download.ZINCCompoundDatabaseDownloadUtility static method) (data_source.compound.zinc.utility.ZINCCompoundDatabaseDownloadUtility static method) download_v_chen_s_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_dingos_by_20190701_button_a_et_al() (data_source.reaction_pattern.miscellaneous.utility.download.MiscellaneousReactionPatternDataSourceDownloadUtility static method) (data_source.reaction_pattern.miscellaneous.utility.MiscellaneousReactionPatternDataSourceDownloadUtility static method) download_v_golden_dataset_by_20211102_lin_a_et_al() (data_source.reaction.miscellaneous.utility.download.MiscellaneousReactionDataSourceDownloadUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceDownloadUtility static method) download_v_htl_by_20080307_brenk_r_et_al() (data_source.compound_pattern.rdkit.utility.download.RDKitCompoundPatternDatasetDownloadUtility static method) (data_source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetDownloadUtility static method) download_v_lef_by_20181221_bradshaw_j_et_al() (data_source.reaction.uspto.utility.download.USPTOReactionDatasetDownloadUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetDownloadUtility static method) download_v_moses_by_20201218_polykovskiy_d_et_al() (data_source.compound.miscellaneous.utility.download.MiscellaneousCompoundDataSourceDownloadUtility static method) (data_source.compound.miscellaneous.utility.MiscellaneousCompoundDataSourceDownloadUtility static method) download_v_orderly() (data_source.reaction.miscellaneous.utility.download.MiscellaneousReactionDataSourceDownloadUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceDownloadUtility static method) download_v_pains_by_20100204_baell_j_b_and_holloway_g_a() (data_source.compound_pattern.rdkit.utility.download.RDKitCompoundPatternDatasetDownloadUtility static method) (data_source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetDownloadUtility static method) download_v_rdb7_by_20220718_spiekermann_k_et_al() (data_source.reaction.miscellaneous.utility.download.MiscellaneousReactionDataSourceDownloadUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceDownloadUtility static method) download_v_reaction_smiles() (data_source.reaction.crd.utility.ChemicalReactionDatabaseDownloadUtility static method) (data_source.reaction.crd.utility.download.ChemicalReactionDatabaseDownloadUtility static method) download_v_release() (data_source.compound.chembl.utility.ChEMBLCompoundDatabaseDownloadUtility static method) (data_source.compound.chembl.utility.download.ChEMBLCompoundDatabaseDownloadUtility static method) (data_source.reaction.ord.utility.download.OpenReactionDatabaseDownloadUtility static method) (data_source.reaction.ord.utility.OpenReactionDatabaseDownloadUtility static method) (data_source.reaction.rhea.utility.download.RheaReactionDatabaseDownloadUtility static method) (data_source.reaction.rhea.utility.RheaReactionDatabaseDownloadUtility static method) (data_source.reaction_pattern.retro_rules.utility.download.RetroRulesReactionPatternDatabaseDownloadUtility static method) (data_source.reaction_pattern.retro_rules.utility.RetroRulesReactionPatternDatabaseDownloadUtility static method) download_v_retro_transform_db_by_20180421_avramova_s_et_al() (data_source.reaction_pattern.miscellaneous.utility.download.MiscellaneousReactionPatternDataSourceDownloadUtility static method) (data_source.reaction_pattern.miscellaneous.utility.MiscellaneousReactionPatternDataSourceDownloadUtility static method)

E

extract() (data_source.base.base.DataSourceBase method) (data_source.base.DataSourceBase method) (data_source.compound.chembl.chembl.ChEMBLCompoundDatabase method) (data_source.compound.chembl.ChEMBLCompoundDatabase method) (data_source.compound.coconut.coconut.COCONUTCompoundDatabase method) (data_source.compound.coconut.COCONUTCompoundDatabase method) (data_source.compound.compound.CompoundDataSource method) (data_source.compound.CompoundDataSource method) (data_source.compound.miscellaneous.miscellaneous.MiscellaneousCompoundDataSource method) (data_source.compound.miscellaneous.MiscellaneousCompoundDataSource method) (data_source.compound.zinc.zinc.ZINCCompoundDatabase method) (data_source.compound.zinc.ZINCCompoundDatabase method) (data_source.compound_pattern.compound_pattern.CompoundPatternDataSource method) (data_source.compound_pattern.CompoundPatternDataSource method) (data_source.compound_pattern.rdkit.rdkit.RDKitCompoundPatternDataset method) (data_source.compound_pattern.rdkit.RDKitCompoundPatternDataset method) (data_source.reaction.crd.ChemicalReactionDatabase method) (data_source.reaction.crd.crd.ChemicalReactionDatabase method) (data_source.reaction.miscellaneous.miscellaneous.MiscellaneousReactionDataSource method) (data_source.reaction.miscellaneous.MiscellaneousReactionDataSource method) (data_source.reaction.ord.OpenReactionDatabase method) (data_source.reaction.ord.ord.OpenReactionDatabase method) (data_source.reaction.reaction.ReactionDataSource method) (data_source.reaction.ReactionDataSource method) (data_source.reaction.rhea.rhea.RheaReactionDatabase method) (data_source.reaction.rhea.RheaReactionDatabase method) (data_source.reaction.uspto.uspto.USPTOReactionDataset method) (data_source.reaction.uspto.USPTOReactionDataset method) (data_source.reaction_pattern.miscellaneous.miscellaneous.MiscellaneousReactionPatternDataSource method) (data_source.reaction_pattern.miscellaneous.MiscellaneousReactionPatternDataSource method) (data_source.reaction_pattern.reaction_pattern.ReactionPatternDataSource method) (data_source.reaction_pattern.ReactionPatternDataSource method) (data_source.reaction_pattern.retro_rules.retro_rules.RetroRulesReactionPatternDatabase method) (data_source.reaction_pattern.retro_rules.RetroRulesReactionPatternDatabase method) extract_v_15k_by_20170418_coley_c_w_et_al() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method) extract_v_1976_to_2013_rsmi_by_20121009_lowe_d_m() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method)

extract_v_1976_to_2016_by_20121009_lowe_d_m() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method) extract_v_1976_to_2016_remapped_by_20210407_schwaller_p_et_al() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method) extract_v_1k_tpl_by_20210128_schwaller_p_et_al() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method) extract_v_20131008_kraut_h_et_al() (data_source.reaction.miscellaneous.utility.extraction.MiscellaneousReactionDataSourceExtractionUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceExtractionUtility static method) extract_v_2_0_by_20241126_chandrasekhar_v_et_al() (data_source.compound.coconut.utility.COCONUTCompoundDatabaseExtractionUtility static method) (data_source.compound.coconut.utility.extraction.COCONUTCompoundDatabaseExtractionUtility static method) extract_v_480k_or_mit_by_20171204_jin_w_et_al() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method) extract_v_50k_by_20141226_schneider_n_et_al() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method) extract_v_50k_by_20161122_schneider_n_et_al() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method) extract_v_auto_template_by_20240627_chen_l_and_li_y() (data_source.reaction_pattern.miscellaneous.utility.extraction.MiscellaneousReactionPatternDataSourceExtractionUtility static method) (data_source.reaction_pattern.miscellaneous.utility.MiscellaneousReactionPatternDataSourceExtractionUtility static method) extract_v_building_block() (data_source.compound.zinc.utility.extraction.ZINCCompoundDatabaseExtractionUtility static method) (data_source.compound.zinc.utility.ZINCCompoundDatabaseExtractionUtility static method) extract_v_by_20180622_schwaller_p_et_al() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method) extract_v_golden_dataset_by_20211102_lin_a_et_al() (data_source.reaction.miscellaneous.utility.extraction.MiscellaneousReactionDataSourceExtractionUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceExtractionUtility static method) extract_v_lef_by_20181221_bradshaw_j_et_al() (data_source.reaction.uspto.utility.extraction.USPTOReactionDatasetExtractionUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetExtractionUtility static method) extract_v_reaction_smiles() (data_source.reaction.crd.utility.ChemicalReactionDatabaseExtractionUtility static method) (data_source.reaction.crd.utility.extraction.ChemicalReactionDatabaseExtractionUtility static method) extract_v_release() (data_source.compound.chembl.utility.ChEMBLCompoundDatabaseExtractionUtility static method) (data_source.compound.chembl.utility.extraction.ChEMBLCompoundDatabaseExtractionUtility static method) (data_source.reaction.ord.utility.extraction.OpenReactionDatabaseExtractionUtility static method) (data_source.reaction.ord.utility.OpenReactionDatabaseExtractionUtility static method) (data_source.reaction.rhea.utility.extraction.RheaReactionDatabaseExtractionUtility static method) (data_source.reaction.rhea.utility.RheaReactionDatabaseExtractionUtility static method) (data_source.reaction_pattern.retro_rules.utility.extraction.RetroRulesReactionPatternDatabaseExtractionUtility static method) (data_source.reaction_pattern.retro_rules.utility.RetroRulesReactionPatternDatabaseExtractionUtility static method)

F

format() (data_source.base.base.DataSourceBase method) (data_source.base.DataSourceBase method) (data_source.compound.chembl.chembl.ChEMBLCompoundDatabase method) (data_source.compound.chembl.ChEMBLCompoundDatabase method) (data_source.compound.coconut.coconut.COCONUTCompoundDatabase method) (data_source.compound.coconut.COCONUTCompoundDatabase method) (data_source.compound.compound.CompoundDataSource method) (data_source.compound.CompoundDataSource method) (data_source.compound.miscellaneous.miscellaneous.MiscellaneousCompoundDataSource method) (data_source.compound.miscellaneous.MiscellaneousCompoundDataSource method) (data_source.compound.zinc.zinc.ZINCCompoundDatabase method) (data_source.compound.zinc.ZINCCompoundDatabase method) (data_source.compound_pattern.compound_pattern.CompoundPatternDataSource method) (data_source.compound_pattern.CompoundPatternDataSource method) (data_source.compound_pattern.rdkit.rdkit.RDKitCompoundPatternDataset method) (data_source.compound_pattern.rdkit.RDKitCompoundPatternDataset method) (data_source.reaction.crd.ChemicalReactionDatabase method) (data_source.reaction.crd.crd.ChemicalReactionDatabase method) (data_source.reaction.miscellaneous.miscellaneous.MiscellaneousReactionDataSource method) (data_source.reaction.miscellaneous.MiscellaneousReactionDataSource method) (data_source.reaction.ord.OpenReactionDatabase method) (data_source.reaction.ord.ord.OpenReactionDatabase method) (data_source.reaction.reaction.ReactionDataSource method) (data_source.reaction.ReactionDataSource method) (data_source.reaction.rhea.rhea.RheaReactionDatabase method) (data_source.reaction.rhea.RheaReactionDatabase method) (data_source.reaction.uspto.uspto.USPTOReactionDataset method) (data_source.reaction.uspto.USPTOReactionDataset method) (data_source.reaction_pattern.miscellaneous.miscellaneous.MiscellaneousReactionPatternDataSource method) (data_source.reaction_pattern.miscellaneous.MiscellaneousReactionPatternDataSource method) (data_source.reaction_pattern.reaction_pattern.ReactionPatternDataSource method) (data_source.reaction_pattern.ReactionPatternDataSource method) (data_source.reaction_pattern.retro_rules.retro_rules.RetroRulesReactionPatternDatabase method) (data_source.reaction_pattern.retro_rules.RetroRulesReactionPatternDatabase method) format_v_15k_by_20170418_coley_c_w_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_1976_to_2013_rsmi_by_20121009_lowe_d_m() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_1976_to_2016_by_20121009_lowe_d_m() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_1976_to_2016_remapped_by_20210407_schwaller_p_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_1k_tpl_by_20210128_schwaller_p_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_20131008_kraut_h_et_al() (data_source.reaction.miscellaneous.utility.formatting.MiscellaneousReactionDataSourceFormattingUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceFormattingUtility static method) format_v_20161014_wei_j_n_et_al() (data_source.reaction.miscellaneous.utility.formatting.MiscellaneousReactionDataSourceFormattingUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceFormattingUtility static method) format_v_20200508_grambow_c_et_al() (data_source.reaction.miscellaneous.utility.formatting.MiscellaneousReactionDataSourceFormattingUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceFormattingUtility static method)

format_v_2_0_by_20241126_chandrasekhar_v_et_al() (data_source.compound.coconut.utility.COCONUTCompoundDatabaseFormattingUtility static method) (data_source.compound.coconut.utility.formatting.COCONUTCompoundDatabaseFormattingUtility static method) format_v_480k_or_mit_by_20171204_jin_w_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_50k_by_20141226_schneider_n_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_50k_by_20161122_schneider_n_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_50k_by_20170905_liu_b_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_50k_by_20171116_coley_c_w_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_auto_template_by_20240627_chen_l_and_li_y() (data_source.reaction_pattern.miscellaneous.utility.formatting.MiscellaneousReactionPatternDataSourceFormattingUtility static method) (data_source.reaction_pattern.miscellaneous.utility.MiscellaneousReactionPatternDataSourceFormattingUtility static method) format_v_building_block() (data_source.compound.zinc.utility.formatting.ZINCCompoundDatabaseFormattingUtility static method) (data_source.compound.zinc.utility.ZINCCompoundDatabaseFormattingUtility static method) format_v_by_20180622_schwaller_p_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_catalog() (data_source.compound.zinc.utility.formatting.ZINCCompoundDatabaseFormattingUtility static method) (data_source.compound.zinc.utility.ZINCCompoundDatabaseFormattingUtility static method) format_v_chen_s_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_dingos_by_20190701_button_a_et_al() (data_source.reaction_pattern.miscellaneous.utility.formatting.MiscellaneousReactionPatternDataSourceFormattingUtility static method) (data_source.reaction_pattern.miscellaneous.utility.MiscellaneousReactionPatternDataSourceFormattingUtility static method) format_v_golden_dataset_by_20211102_lin_a_et_al() (data_source.reaction.miscellaneous.utility.formatting.MiscellaneousReactionDataSourceFormattingUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceFormattingUtility static method) format_v_htl_by_20080307_brenk_r_et_al() (data_source.compound_pattern.rdkit.utility.formatting.RDKitCompoundPatternDatasetFormattingUtility static method) (data_source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetFormattingUtility static method) format_v_lef_by_20181221_bradshaw_j_et_al() (data_source.reaction.uspto.utility.formatting.USPTOReactionDatasetFormattingUtility static method) (data_source.reaction.uspto.utility.USPTOReactionDatasetFormattingUtility static method) format_v_moses_by_20201218_polykovskiy_d_et_al() (data_source.compound.miscellaneous.utility.formatting.MiscellaneousCompoundDataSourceFormattingUtility static method) (data_source.compound.miscellaneous.utility.MiscellaneousCompoundDataSourceFormattingUtility static method) format_v_orderly() (data_source.reaction.miscellaneous.utility.formatting.MiscellaneousReactionDataSourceFormattingUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceFormattingUtility static method) format_v_pains_by_20100204_baell_j_b_and_holloway_g_a() (data_source.compound_pattern.rdkit.utility.formatting.RDKitCompoundPatternDatasetFormattingUtility static method) (data_source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetFormattingUtility static method) format_v_rdb7_by_20220718_spiekermann_k_et_al() (data_source.reaction.miscellaneous.utility.formatting.MiscellaneousReactionDataSourceFormattingUtility static method) (data_source.reaction.miscellaneous.utility.MiscellaneousReactionDataSourceFormattingUtility static method) format_v_reaction_smiles() (data_source.reaction.crd.utility.ChemicalReactionDatabaseFormattingUtility static method) (data_source.reaction.crd.utility.formatting.ChemicalReactionDatabaseFormattingUtility static method) format_v_release() (data_source.compound.chembl.utility.ChEMBLCompoundDatabaseFormattingUtility static method) (data_source.compound.chembl.utility.formatting.ChEMBLCompoundDatabaseFormattingUtility static method) (data_source.reaction.ord.utility.formatting.OpenReactionDatabaseFormattingUtility static method) (data_source.reaction.ord.utility.OpenReactionDatabaseFormattingUtility static method) (data_source.reaction.rhea.utility.formatting.RheaReactionDatabaseFormattingUtility static method) (data_source.reaction.rhea.utility.RheaReactionDatabaseFormattingUtility static method) (data_source.reaction_pattern.retro_rules.utility.formatting.RetroRulesReactionPatternDatabaseFormattingUtility static method) (data_source.reaction_pattern.retro_rules.utility.RetroRulesReactionPatternDatabaseFormattingUtility static method) format_v_retro_transform_db_by_20180421_avramova_s_et_al() (data_source.reaction_pattern.miscellaneous.utility.formatting.MiscellaneousReactionPatternDataSourceFormattingUtility static method) (data_source.reaction_pattern.miscellaneous.utility.MiscellaneousReactionPatternDataSourceFormattingUtility static method)

G

get_names_of_supported_data_sources() (data_source.compound.compound.CompoundDataSource method) (data_source.compound.CompoundDataSource method) (data_source.compound_pattern.compound_pattern.CompoundPatternDataSource method) (data_source.compound_pattern.CompoundPatternDataSource method) (data_source.reaction.reaction.ReactionDataSource method) (data_source.reaction.ReactionDataSource method) (data_source.reaction_pattern.reaction_pattern.ReactionPatternDataSource method) (data_source.reaction_pattern.ReactionPatternDataSource method) get_supported_versions() (data_source.compound.chembl.chembl.ChEMBLCompoundDatabase method) (data_source.compound.chembl.ChEMBLCompoundDatabase method) (data_source.compound.coconut.coconut.COCONUTCompoundDatabase static method) (data_source.compound.coconut.COCONUTCompoundDatabase static method) (data_source.compound.compound.CompoundDataSource method) (data_source.compound.CompoundDataSource method) (data_source.compound.miscellaneous.miscellaneous.MiscellaneousCompoundDataSource static method) (data_source.compound.miscellaneous.MiscellaneousCompoundDataSource static method) (data_source.compound.zinc.zinc.ZINCCompoundDatabase method) (data_source.compound.zinc.ZINCCompoundDatabase method) (data_source.compound_pattern.compound_pattern.CompoundPatternDataSource method) (data_source.compound_pattern.CompoundPatternDataSource method) (data_source.compound_pattern.rdkit.rdkit.RDKitCompoundPatternDataset static method) (data_source.compound_pattern.rdkit.RDKitCompoundPatternDataset static method) (data_source.reaction.crd.ChemicalReactionDatabase static method) (data_source.reaction.crd.crd.ChemicalReactionDatabase static method) (data_source.reaction.miscellaneous.miscellaneous.MiscellaneousReactionDataSource static method) (data_source.reaction.miscellaneous.MiscellaneousReactionDataSource static method) (data_source.reaction.ord.OpenReactionDatabase static method) (data_source.reaction.ord.ord.OpenReactionDatabase static method) (data_source.reaction.reaction.ReactionDataSource method) (data_source.reaction.ReactionDataSource method) (data_source.reaction.rhea.rhea.RheaReactionDatabase method) (data_source.reaction.rhea.RheaReactionDatabase method) (data_source.reaction.uspto.uspto.USPTOReactionDataset static method) (data_source.reaction.uspto.USPTOReactionDataset static method) (data_source.reaction_pattern.miscellaneous.miscellaneous.MiscellaneousReactionPatternDataSource static method) (data_source.reaction_pattern.miscellaneous.MiscellaneousReactionPatternDataSource static method) (data_source.reaction_pattern.reaction_pattern.ReactionPatternDataSource method) (data_source.reaction_pattern.ReactionPatternDataSource method) (data_source.reaction_pattern.retro_rules.retro_rules.RetroRulesReactionPatternDatabase static method) (data_source.reaction_pattern.retro_rules.RetroRulesReactionPatternDatabase static method)

L

logger (data_source.base.base.DataSourceBase property) (data_source.base.DataSourceBase property)

M

MiscellaneousCompoundDataSource (class in data_source.compound.miscellaneous) (class in data_source.compound.miscellaneous.miscellaneous) MiscellaneousCompoundDataSourceDownloadUtility (class in data_source.compound.miscellaneous.utility) (class in data_source.compound.miscellaneous.utility.download) MiscellaneousCompoundDataSourceExtractionUtility (class in data_source.compound.miscellaneous.utility) (class in data_source.compound.miscellaneous.utility.extraction) MiscellaneousCompoundDataSourceFormattingUtility (class in data_source.compound.miscellaneous.utility) (class in data_source.compound.miscellaneous.utility.formatting) MiscellaneousReactionDataSource (class in data_source.reaction.miscellaneous) (class in data_source.reaction.miscellaneous.miscellaneous) MiscellaneousReactionDataSourceDownloadUtility (class in data_source.reaction.miscellaneous.utility) (class in data_source.reaction.miscellaneous.utility.download) MiscellaneousReactionDataSourceExtractionUtility (class in data_source.reaction.miscellaneous.utility) (class in data_source.reaction.miscellaneous.utility.extraction) MiscellaneousReactionDataSourceFormattingUtility (class in data_source.reaction.miscellaneous.utility) (class in data_source.reaction.miscellaneous.utility.formatting) MiscellaneousReactionPatternDataSource (class in data_source.reaction_pattern.miscellaneous) (class in data_source.reaction_pattern.miscellaneous.miscellaneous) MiscellaneousReactionPatternDataSourceDownloadUtility (class in data_source.reaction_pattern.miscellaneous.utility) (class in data_source.reaction_pattern.miscellaneous.utility.download) MiscellaneousReactionPatternDataSourceExtractionUtility (class in data_source.reaction_pattern.miscellaneous.utility) (class in data_source.reaction_pattern.miscellaneous.utility.extraction) MiscellaneousReactionPatternDataSourceFormattingUtility (class in data_source.reaction_pattern.miscellaneous.utility) (class in data_source.reaction_pattern.miscellaneous.utility.formatting) module data_source data_source.base data_source.base.base data_source.base.utility data_source.base.utility.download data_source.compound data_source.compound.chembl data_source.compound.chembl.chembl data_source.compound.chembl.utility data_source.compound.chembl.utility.download data_source.compound.chembl.utility.extraction data_source.compound.chembl.utility.formatting data_source.compound.coconut data_source.compound.coconut.coconut data_source.compound.coconut.utility data_source.compound.coconut.utility.download data_source.compound.coconut.utility.extraction data_source.compound.coconut.utility.formatting data_source.compound.compound data_source.compound.miscellaneous data_source.compound.miscellaneous.miscellaneous data_source.compound.miscellaneous.utility data_source.compound.miscellaneous.utility.download data_source.compound.miscellaneous.utility.extraction data_source.compound.miscellaneous.utility.formatting data_source.compound.zinc data_source.compound.zinc.utility data_source.compound.zinc.utility.download data_source.compound.zinc.utility.extraction data_source.compound.zinc.utility.formatting data_source.compound.zinc.zinc data_source.compound_pattern data_source.compound_pattern.compound_pattern data_source.compound_pattern.rdkit data_source.compound_pattern.rdkit.rdkit data_source.compound_pattern.rdkit.utility data_source.compound_pattern.rdkit.utility.download data_source.compound_pattern.rdkit.utility.extraction data_source.compound_pattern.rdkit.utility.formatting data_source.reaction data_source.reaction.crd data_source.reaction.crd.crd data_source.reaction.crd.utility data_source.reaction.crd.utility.download data_source.reaction.crd.utility.extraction data_source.reaction.crd.utility.formatting data_source.reaction.miscellaneous data_source.reaction.miscellaneous.miscellaneous data_source.reaction.miscellaneous.utility data_source.reaction.miscellaneous.utility.download data_source.reaction.miscellaneous.utility.extraction data_source.reaction.miscellaneous.utility.formatting data_source.reaction.ord data_source.reaction.ord.ord data_source.reaction.ord.utility data_source.reaction.ord.utility.download data_source.reaction.ord.utility.extraction data_source.reaction.ord.utility.formatting data_source.reaction.reaction data_source.reaction.rhea data_source.reaction.rhea.rhea data_source.reaction.rhea.utility data_source.reaction.rhea.utility.download data_source.reaction.rhea.utility.extraction data_source.reaction.rhea.utility.formatting data_source.reaction.uspto data_source.reaction.uspto.uspto data_source.reaction.uspto.utility data_source.reaction.uspto.utility.download data_source.reaction.uspto.utility.extraction data_source.reaction.uspto.utility.formatting data_source.reaction_pattern data_source.reaction_pattern.miscellaneous data_source.reaction_pattern.miscellaneous.miscellaneous data_source.reaction_pattern.miscellaneous.utility data_source.reaction_pattern.miscellaneous.utility.download data_source.reaction_pattern.miscellaneous.utility.extraction data_source.reaction_pattern.miscellaneous.utility.formatting data_source.reaction_pattern.reaction_pattern data_source.reaction_pattern.retro_rules data_source.reaction_pattern.retro_rules.retro_rules data_source.reaction_pattern.retro_rules.utility data_source.reaction_pattern.retro_rules.utility.download data_source.reaction_pattern.retro_rules.utility.extraction data_source.reaction_pattern.retro_rules.utility.formatting

O

OpenReactionDatabase (class in data_source.reaction.ord) (class in data_source.reaction.ord.ord) OpenReactionDatabaseDownloadUtility (class in data_source.reaction.ord.utility) (class in data_source.reaction.ord.utility.download)

OpenReactionDatabaseExtractionUtility (class in data_source.reaction.ord.utility) (class in data_source.reaction.ord.utility.extraction) OpenReactionDatabaseFormattingUtility (class in data_source.reaction.ord.utility) (class in data_source.reaction.ord.utility.formatting)

R

RDKitCompoundPatternDataset (class in data_source.compound_pattern.rdkit) (class in data_source.compound_pattern.rdkit.rdkit) RDKitCompoundPatternDatasetDownloadUtility (class in data_source.compound_pattern.rdkit.utility) (class in data_source.compound_pattern.rdkit.utility.download) RDKitCompoundPatternDatasetExtractionUtility (class in data_source.compound_pattern.rdkit.utility) (class in data_source.compound_pattern.rdkit.utility.extraction) RDKitCompoundPatternDatasetFormattingUtility (class in data_source.compound_pattern.rdkit.utility) (class in data_source.compound_pattern.rdkit.utility.formatting) ReactionDataSource (class in data_source.reaction) (class in data_source.reaction.reaction) ReactionPatternDataSource (class in data_source.reaction_pattern) (class in data_source.reaction_pattern.reaction_pattern) RetroRulesReactionPatternDatabase (class in data_source.reaction_pattern.retro_rules) (class in data_source.reaction_pattern.retro_rules.retro_rules)

RetroRulesReactionPatternDatabaseDownloadUtility (class in data_source.reaction_pattern.retro_rules.utility) (class in data_source.reaction_pattern.retro_rules.utility.download) RetroRulesReactionPatternDatabaseExtractionUtility (class in data_source.reaction_pattern.retro_rules.utility) (class in data_source.reaction_pattern.retro_rules.utility.extraction) RetroRulesReactionPatternDatabaseFormattingUtility (class in data_source.reaction_pattern.retro_rules.utility) (class in data_source.reaction_pattern.retro_rules.utility.formatting) RheaReactionDatabase (class in data_source.reaction.rhea) (class in data_source.reaction.rhea.rhea) RheaReactionDatabaseDownloadUtility (class in data_source.reaction.rhea.utility) (class in data_source.reaction.rhea.utility.download) RheaReactionDatabaseExtractionUtility (class in data_source.reaction.rhea.utility) (class in data_source.reaction.rhea.utility.extraction) RheaReactionDatabaseFormattingUtility (class in data_source.reaction.rhea.utility) (class in data_source.reaction.rhea.utility.formatting)

S

send_http_get_request() (data_source.base.utility.DataSourceDownloadUtility static method) (data_source.base.utility.download.DataSourceDownloadUtility static method) supported_data_sources (data_source.compound.compound.CompoundDataSource attribute) (data_source.compound.CompoundDataSource attribute) (data_source.compound_pattern.compound_pattern.CompoundPatternDataSource attribute) (data_source.compound_pattern.CompoundPatternDataSource attribute) (data_source.reaction.reaction.ReactionDataSource attribute) (data_source.reaction.ReactionDataSource attribute) (data_source.reaction_pattern.reaction_pattern.ReactionPatternDataSource attribute) (data_source.reaction_pattern.ReactionPatternDataSource attribute)

U

USPTOReactionDataset (class in data_source.reaction.uspto) (class in data_source.reaction.uspto.uspto) USPTOReactionDatasetDownloadUtility (class in data_source.reaction.uspto.utility) (class in data_source.reaction.uspto.utility.download)

USPTOReactionDatasetExtractionUtility (class in data_source.reaction.uspto.utility) (class in data_source.reaction.uspto.utility.extraction) USPTOReactionDatasetFormattingUtility (class in data_source.reaction.uspto.utility) (class in data_source.reaction.uspto.utility.formatting)

Z

ZINCCompoundDatabase (class in data_source.compound.zinc) (class in data_source.compound.zinc.zinc) ZINCCompoundDatabaseDownloadUtility (class in data_source.compound.zinc.utility) (class in data_source.compound.zinc.utility.download)

ZINCCompoundDatabaseExtractionUtility (class in data_source.compound.zinc.utility) (class in data_source.compound.zinc.utility.extraction) ZINCCompoundDatabaseFormattingUtility (class in data_source.compound.zinc.utility) (class in data_source.compound.zinc.utility.formatting)