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KCF-Convoy: efficient Python package to convert KEGG Chemical Function and Substructure fingerprints

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/minf.201400066openalex-snapshot
Benchmarking a Wide Range of Chemical Descriptors for Drug‐Target Interaction Prediction Using a Chemogenomic Approach
inferredcites →https://doi.org/10.1002/prot.25001openalex-snapshot
Spatial proximity statistics suggest a regulatory role of protein phosphorylation on compound binding
inferredcites →https://doi.org/10.1021/acs.jcim.5b00216openalex-snapshot
Identification of Enzyme Genes Using Chemical Structure Alignments of Substrate–Product Pairs
inferredcites →https://doi.org/10.1021/acs.jmedchem.6b00725openalex-snapshot
When Does Chemical Elaboration Induce a Ligand To Change Its Binding Mode?
inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
inferredcites →https://doi.org/10.1021/ci9001876openalex-snapshot
PubChem as a Source of Polypharmacology
inferredcites →https://doi.org/10.1021/ja036030uopenalex-snapshot
Development of a Chemical Structure Comparison Method for Integrated Analysis of Chemical and Genomic Information in the Metabolic Pathways
inferredcites →https://doi.org/10.1093/nar/gkw1092openalex-snapshot
KEGG: new perspectives on genomes, pathways, diseases and drugs
inferredcites →https://doi.org/10.1093/pcp/pct176openalex-snapshot
KNApSAcK Metabolite Activity Database for Retrieving the Relationships Between Metabolites and Biological Activities
inferredcites →https://doi.org/10.1186/1752-0509-7-s6-s2openalex-snapshot
KCF-S: KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics
inferredcites →https://doi.org/10.1186/s13321-015-0068-4openalex-snapshot
InChI, the IUPAC International Chemical Identifier

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1016/j.gce.2022.10.003openalex-snapshot
Enzyme annotation for orphan reactions and its applications in biomanufacturing
inferred← citeshttps://doi.org/10.1021/acs.analchem.4c01565openalex-snapshot
Molecular Structure Discovery for Untargeted Metabolomics Using Biotransformation Rules and Global Molecular Networking
inferred← citeshttps://doi.org/10.1038/s41540-024-00381-1openalex-snapshot
Extending PROXIMAL to predict degradation pathways of phenolic compounds in the human gut microbiota
inferred← citeshttps://doi.org/10.1039/d6dd00040aopenalex-snapshot
EnzFinder: a sustainable alternative to chemical synthesis
inferred← citeshttps://doi.org/10.15581/10171/66822openalex-snapshot
Enzyme promiscuity approaches to predict metabolic pathways in the human gut microbiota.
inferred← citeshttps://doi.org/10.18174/538330openalex-snapshot
Multi-omics approaches for biosynthetic pathway prediction in plants
inferred← citeshttps://doi.org/10.64898/2026.02.12.705490openalex-snapshot
EnzFinder: a sustainable alternative to chemical synthesis
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