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- ABKAR1 - biotransformer.biomolecule.Enzyme.EnzymeName
- ABKAR2 - biotransformer.biomolecule.Enzyme.EnzymeName
- ACETYLNEURAMINYL_HYDROLYSIS_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- ACETYLNEURAMINYL_HYDROLYSIS_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- ACETYLNEURAMINYL_HYDROLYSIS_PATTERN3 - biotransformer.transformation.MRPatterns.ReactionName
- ACETYLTRANSFERASE - biotransformer.biomolecule.Enzyme.EnzymeName
- ACYL_COA_11Z_DESATURATION - biotransformer.transformation.MRPatterns.ReactionName
- ACYL_COA_C_ACYL_TRANSFER - biotransformer.transformation.MRPatterns.ReactionName
- ACYL_CoA_CONJUGATE - biotransformer.utils.ChemicalClassFinder.ChemicalClassName
- ACYL_COA_GLYCEROL_3_PHOSPHATE_1_O_ACYL_TRANSFER - biotransformer.transformation.MRPatterns.ReactionName
- ACYL_COA_OXIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ACYL_COA_TRANS_2_OXIDOREDUCTION - biotransformer.transformation.MRPatterns.ReactionName
- ACYL_HYDROLYSIS_OF_4_NITROPHENYL_ESTER - biotransformer.transformation.MRPatterns.ReactionName
- ACYL_O_DEGLYCOSYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ACYLCHOLINE_ACYLHYDROLYSIS - biotransformer.transformation.MRPatterns.ReactionName
- ACYLGLYCEROL_3_PHOSPHATE_OXIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ACYLGLYCERONE_3_PHOSPHATE_REDUCTION - biotransformer.transformation.MRPatterns.ReactionName
- ACYLPHOSPHATE_PHOSPHOHYDROLYSIS - biotransformer.transformation.MRPatterns.ReactionName
- addInChIandKey(IAtomContainer) - Static method in class biotransformer.utils.ChemStructureExplorer
- addPhysicoChemicalProperties(IAtomContainer) - Static method in class biotransformer.utils.ChemStructureExplorer
- addReaction(MetabolicReaction) - Method in class biotransformer.biomolecule.Enzyme
- ALCOHOL_O_CINNAMOYL_TRANSFER_REVERSE - biotransformer.transformation.MRPatterns.ReactionName
- ALDEHYDE_DEHYDROGENATION - biotransformer.transformation.MRPatterns.ReactionName
- ALDEHYDE_OXIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ALDEHYDE_REDUCTION - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_ACYL_O_GLUCURONIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROLYTIC_DEHALOGENATION - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_AT_PENULTIMATE_CARBON_ADJACENT_TO_AROMATIC_CARBON - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_ACYCLIC_12_DISUBSTITUTED_ALKENE_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_ALPLHA_CARBON_IN_ARYL_OR_VINYL_ETHER - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_CARBON_ADJACENT_TO_HALOGEN_GROUP - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_CARBON_ADJACENT_TO_OXYGEN - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_CARBON_ADJACENT_TO_SULFUR - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_CARBON_ALPHA_TO_PRIMARY_ALKYL_N - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_CARBON_ALPHA_TO_SECONDARY_OR_TERTIARY_ALKYL_N - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_ENDOCYCLIC_CARBON - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_METHYL_CARBON_ADJACENT_TO_ALKYNE_GROUP - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_METHYL_CARBON_ADJACENT_TO_AROMATIC_RING - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_HYDROXYLATION_OF_METHYL_CARBON_ADJACENT_TO_VINYL_GROUP - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_NITRILE_DEGRADATION_TO_CARBOXYLIC_ACID - biotransformer.transformation.MRPatterns.ReactionName
- ALIPHATIC_REDUCTIVE_DEHALOGENATION - biotransformer.transformation.MRPatterns.ReactionName
- ALKENE_EPOXIDATION_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- ALKENE_EPOXIDATION_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- ALKENE_HYDROXYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ALKENYLGLYCERO_3_PHOSPHOCHOLINE_HYDROLYSIS_TO_GLYCERO_3_PHOSPHOCHOLINE - biotransformer.transformation.MRPatterns.ReactionName
- ALKENYLGLYCERO_3_PHOSPHOETHANOLAMINE_HYDROLYSIS_TO_GLYCERO_3_PHOSPHOETHANOLAMINE - biotransformer.transformation.MRPatterns.ReactionName
- ALKYL_HYDROXYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ALKYL_OH_DEGLYCOSYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ALKYL_OH_GLUCURONIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ALKYLGLYCEROL_3_PHOSPHATE_OXIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ALKYLGLYCERONE_PHOSPHATE_SYNTHESIS - biotransformer.transformation.MRPatterns.ReactionName
- ALL_TRANS_RETINYL_ESTER_ACYLHYDROLYSIS - biotransformer.transformation.MRPatterns.ReactionName
- ALLYLIC_HYDROXLATION - biotransformer.transformation.MRPatterns.ReactionName
- ALLYLIC_HYDROXYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ALLYLIC_HYDROXYLATION_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- ALLYLIC_HYDROXYLATION_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- ALLYLIC_HYDROXYLATION_PATTERN3 - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_AMINO_ACID - biotransformer.biomolecule.StructuralChemicalCategory.SCCategoryName
- ALPHA_BETA_MANNOSIDE_MANNOHYDROLYSIS - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_HYDROXYLATED_FATTY_ACID - biotransformer.utils.ChemicalClassFinder.ChemicalClassName
- ALPHA_HYDROXYLATION_OF_ARYLDIMETHYLAMINE - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_HYDROXYLATION_OF_ARYLDIMETHYLAMINE_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_HYDROXYLATION_OF_ARYLDIMETHYLAMINE_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_HYDROXYLATION_OF_ARYLDIMETHYLFORMAMIDINE - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_HYDROXYLATION_OF_ARYLDIMETHYLUREA - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_HYDROXYLATION_OF_CARBONYL_GROUP - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_KETO_ACID_DECARBOXYLATION - biotransformer.transformation.MRPatterns.ReactionName
-
After decarboxylation, the resulting aldehyde transiently is quickly oxidized to a carboxylic acid
- ALPHA_L_RHAMNOSIDE_RHAMNOHYDROLYSIS - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_N_ACETYL_GLUCOSAMINIDE_N_ACETYL_GLUCOSAMINOHYDROLYSIS - biotransformer.transformation.MRPatterns.ReactionName
- ALPHA_OXIDATION_OF_CARBXOYLIC_ACID - biotransformer.transformation.MRPatterns.ReactionName
- AMIDE_N_GLUCURONIDATION - biotransformer.transformation.MRPatterns.ReactionName
- AMINE_N_OXIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ANDROGEN_AROMATIZATION - biotransformer.transformation.MRPatterns.ReactionName
- ANILINE_P_HYDROXYLATION - biotransformer.transformation.MRPatterns.ReactionName
- annotateAtomContainerWithProps(IAtomContainer, LinkedHashMap<Object, Object>) - Static method in class biotransformer.utils.Utilities
- annotateWithProperties(IAtomContainer) - Static method in class biotransformer.utils.ChemStructureExplorer
- ANTHOCYANIDIN_3O_DEGLUCOSYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_3O_GLUCOSIDE_6PP_DEACYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_3O_GLUCOSYLATION1 - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_3O_GLUCOSYLATION2 - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_C_RING_FISSION_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_C_RING_FISSION_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_C_RING_FISSION_PATTERN3 - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_C_RING_FISSION_PATTERN4 - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_C_RING_FISSION_PATTERN5 - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_REDUCTION - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIDIN_STANDARDIZATION_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIN_5_6PPP_HYDROXYCINNAMOYL_TRANSFER_REVERSE - biotransformer.transformation.MRPatterns.ReactionName
- ANTHOCYANIN_6PP_MALONYL_TRANSFER_REVERSE - biotransformer.transformation.MRPatterns.ReactionName
- applyEcBasedConjuationsChain(IAtomContainer, boolean, boolean, int) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedConjuationsChain(IAtomContainer, boolean, boolean, int, double) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedConjugations(IAtomContainer, boolean, boolean, double) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedDeconjuations(IAtomContainer, boolean, boolean, int) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedDeconjuationsChain(IAtomContainer, boolean, boolean, int) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedDeconjuationsChain(IAtomContainer, boolean, boolean, int, double) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedDeconjugations(IAtomContainer, boolean, boolean, int, double) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedTransformations(IAtomContainer, boolean, boolean) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedTransformations(IAtomContainer, boolean, boolean, double) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedTransformationsChain(IAtomContainer, boolean, boolean, int) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEcBasedTransformationsChain(IAtomContainer, boolean, boolean, int, double) - Method in class biotransformer.btransformers.ECBasedBTransformer
- applyEnvMicrobialTransformations(IAtomContainer, boolean, boolean) - Method in class biotransformer.btransformers.EnvMicroBTransformer
- applyEnvMicrobialTransformations(IAtomContainer, boolean, boolean, double) - Method in class biotransformer.btransformers.EnvMicroBTransformer
- applyEnvMicrobialTransformations(IAtomContainerSet, boolean, boolean, double) - Method in class biotransformer.btransformers.EnvMicroBTransformer
- applyEnvMicrobialTransformationsChain(IAtomContainer, boolean, boolean, int) - Method in class biotransformer.btransformers.EnvMicroBTransformer
- applyEnvMicrobialTransformationsChain(IAtomContainer, boolean, boolean, int, double) - Method in class biotransformer.btransformers.EnvMicroBTransformer
- applyGutMicrobialConjugations(IAtomContainer, boolean, boolean) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialConjugations(IAtomContainer, boolean, boolean, double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialConjugationsChain(IAtomContainer, boolean, boolean, int) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialConjugationsChain(IAtomContainer, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialDeconjugations(IAtomContainer, boolean, boolean) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialDeconjugations(IAtomContainer, boolean, boolean, double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialDeconjugationsChain(IAtomContainer, boolean, boolean, int) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialDeconjugationsChain(IAtomContainer, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialMetabolismHydrolysisAndRedoxChain(IAtomContainer, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialMetabolismHydrolysisAndRedoxChain(IAtomContainerSet, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialMetabolismHydrolysisAndRedoxChain(IAtomContainerSet, boolean, boolean, int, Double) - Method in class biotransformer.utils.HumanSuperBioTransformer
- applyGutMicrobialMetabolismHydrolysisAndRedoxStep(IAtomContainer, boolean, boolean, Double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialMetabolismHydrolysisAndRedoxStep(IAtomContainerSet, boolean, boolean, Double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialRedoxChain(IAtomContainer, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialRedoxReactions(IAtomContainer, boolean, boolean) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialRedoxReactions(IAtomContainer, boolean, boolean, double) - Method in class biotransformer.btransformers.HGutBTransformer
- applyGutMicrobialRedoxReactionsChain(IAtomContainer, boolean, boolean, int) - Method in class biotransformer.btransformers.HGutBTransformer
- applyPathwaySpecificBiotransformationChain(IAtomContainer, MetabolicPathway.MPathwayName, boolean, boolean, int) - Method in class biotransformer.btransformers.Biotransformer
- applyPathwaySpecificBiotransformations(IAtomContainer, MetabolicPathway.MPathwayName, boolean, boolean, double) - Method in class biotransformer.utils.HumanSuperBioTransformer
- applyPathwaySpecificBiotransformations(IAtomContainer, MetabolicPathway.MPathwayName, boolean, boolean, Double) - Method in class biotransformer.btransformers.Biotransformer
-
Predicts the metabolism of a compound for a specific pathway, and returns metabolites with a minimal given score threshold.
- applyPathwaySpecificBiotransformations(IAtomContainerSet, MetabolicPathway.MPathwayName, boolean, boolean, Double) - Method in class biotransformer.btransformers.Biotransformer
-
Predicts the metabolism of a compound for a specific pathway, and returns metabolites with a minimal given score threshold.
- applyPathwaySpecificBiotransformationsChain(IAtomContainer, MetabolicPathway.MPathwayName, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyPathwaySpecificBiotransformationsChain(IAtomContainerSet, MetabolicPathway.MPathwayName, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyPhase2Transformations(IAtomContainer, boolean, boolean, boolean) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyPhase2Transformations(IAtomContainer, boolean, boolean, boolean, double) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyPhase2Transformations(IAtomContainerSet, boolean, boolean, boolean, double) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyPhase2TransformationsChainAndReturnBiotransformations(IAtomContainer, boolean, boolean, boolean, int) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyPhase2TransformationsChainAndReturnBiotransformations(IAtomContainer, boolean, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyPhase2TransformationsChainAndReturnBiotransformations(IAtomContainerSet, boolean, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyPhaseIITransformationsChainAndReturnBiotransformations(IAtomContainerSet, int, double) - Method in class biotransformer.utils.HumanSuperBioTransformer
- applyReactionAndReturnBiotransformations(IAtomContainer, MetabolicReaction, boolean) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionAndReturnBiotransformations(IAtomContainer, MetabolicReaction, boolean, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionAndReturnBiotransformations(IAtomContainer, MetabolicReaction, boolean, Double) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyReactionAtOnceAndReturnBiotransformations(IAtomContainer, MetabolicReaction, boolean, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionAtOnceAndReturnBiotransformations(IAtomContainer, ArrayList<MetabolicReaction>, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionAtOnceAndReturnBiotransformations(IAtomContainer, ArrayList<MetabolicReaction>, boolean, boolean, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionAtOnceAndReturnBiotransformations(IAtomContainerSet, ArrayList<MetabolicReaction>, boolean, boolean, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionChain(IAtomContainer, SMIRKSManager, LinkedHashMap<String, MetabolicReaction>, boolean, boolean, int) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionChain(IAtomContainer, SMIRKSManager, LinkedHashMap<String, MetabolicReaction>, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionChainFromSDF(String, boolean, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyReactionChainFromSdfToSingleSdf(String, boolean, boolean, boolean, int, Double, String, boolean) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyReactions(IAtomContainer, SMIRKSManager, LinkedHashMap<String, MetabolicReaction>, boolean, boolean) - Method in class biotransformer.btransformers.Biotransformer
- applyReactions(IAtomContainer, LinkedHashMap<String, MetabolicReaction>, boolean, boolean, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionsAndReturnBiotransformations(IAtomContainer, ArrayList<MetabolicReaction>, boolean, boolean) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionsAndReturnBiotransformations(IAtomContainer, ArrayList<MetabolicReaction>, boolean, boolean, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionsAndReturnBiotransformations(IAtomContainer, ArrayList<MetabolicReaction>, boolean, boolean, Double) - Method in class biotransformer.btransformers.EnvMicroBTransformer
- applyReactionsAndReturnBiotransformations(IAtomContainer, ArrayList<MetabolicReaction>, boolean, boolean, Double) - Method in class biotransformer.btransformers.Phase2BTransformer
- applyReactionsChainAndReturnBiotransformations(IAtomContainer, ArrayList<MetabolicReaction>, boolean, boolean, int) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionsChainAndReturnBiotransformations(IAtomContainer, ArrayList<MetabolicReaction>, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionsChainAndReturnBiotransformations(IAtomContainerSet, ArrayList<MetabolicReaction>, boolean, boolean, int) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionsChainAndReturnBiotransformations(IAtomContainerSet, ArrayList<MetabolicReaction>, boolean, boolean, int, Double) - Method in class biotransformer.btransformers.Biotransformer
- applyReactionsFromContainersAndReturnBiotransformations(IAtomContainerSet, ArrayList<MetabolicReaction>, boolean, boolean, Double) - Method in class biotransformer.btransformers.Biotransformer
- ARALKYLAMINE_N_ACETYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ARALKYLAMINE_N_ACETYLATION_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- ARENE_EPOXIDATION_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- ARENE_EPOXIDATION_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_ACYL_O_GLUCURONIDATION - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_ALDEHYDE_REDUCTION - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_AMINO_ACID_TRANSAMINATION - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_HYDROXYLATION_OF_FUSED_BENZENE_RING_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_HYDROXYLATION_OF_FUSED_BENZENE_RING_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_HYDROXYLATION_OF_FUSED_BENZENE_RING_PATTERN3 - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_HYDROXYLATION_OF_FUSED_BENZENE_RING_PATTERN4 - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_HYDROXYLATION_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
-
CYP450 reactions
- AROMATIC_HYDROXYLATION_PATTERN3 - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_L_AMINO_ACID_DECARBOXYLATION - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_N_OXIDATION - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_O_METHYLATION - biotransformer.transformation.MRPatterns.ReactionName
- AROMATIC_OH_GLUCURONIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ARSENITE_O_METHYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ARYL_ALCOHOL_DEHYDROGENATION - biotransformer.transformation.MRPatterns.ReactionName
- ARYL_ALCOHOL_OXIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ARYL_ALDEHYDE_DEHYDROGENATION - biotransformer.transformation.MRPatterns.ReactionName
- ARYL_ALDEHYDE_OXIDATION - biotransformer.transformation.MRPatterns.ReactionName
- ARYLACETAMDE_DEACETYLATION - biotransformer.transformation.MRPatterns.ReactionName
- ARYLAMINE_N_ACETYLATION_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
-
Phase II reactions
- ARYLAMINE_N_ACETYLATION_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- ARYLAMINE_N_ACETYLATION_PATTERN3 - biotransformer.transformation.MRPatterns.ReactionName
- ARYLDIALKYLPHOSPHATE_PHOSPHOHYDROLYSIS - biotransformer.transformation.MRPatterns.ReactionName
- ARYLSULFATE_SULFOHYDROLYSIS - biotransformer.transformation.MRPatterns.ReactionName
- AssignChemicalClasses(IAtomContainer) - Static method in class biotransformer.utils.ChemicalClassFinder
- atomContainerInclusionHolds(IAtomContainerSet, IAtomContainer) - Static method in class biotransformer.utils.ChemStructureExplorer
-
Given a molecule (or AtomContainer) M and an AtomContainerSet S, check whether M is included in the set S.
- AZIDE_STANDARDIZATION - biotransformer.transformation.MRPatterns.ReactionName
-
Standardization reactions
- AZOLE_N_GLUCURONIDATION_PATTERN1 - biotransformer.transformation.MRPatterns.ReactionName
- AZOLE_N_GLUCURONIDATION_PATTERN2 - biotransformer.transformation.MRPatterns.ReactionName
- AZOLE_N_GLUCURONIDATION_PATTERN3 - biotransformer.transformation.MRPatterns.ReactionName
- AZOLE_N_GLUCURONIDATION_PATTERN4 - biotransformer.transformation.MRPatterns.ReactionName
- AZOLE_N_GLUCURONIDATION_PATTERN5 - biotransformer.transformation.MRPatterns.ReactionName
- AZOLE_N_GLUCURONIDATION_PATTERN6 - biotransformer.transformation.MRPatterns.ReactionName
- AZOREDUCTION_TO_PRIMARY_AMINE - biotransformer.transformation.MRPatterns.ReactionName
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