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Mapping Human Metabolic Pathways in the Small Molecule Chemical Space
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Statistical Investigation into the Structural Complementarity of Natural Products and Synthetic Compounds
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A bioinformatician's view of the metabolome
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Functional Classes in the Three Domains of Life
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Comparing the chemical spaces of metabolites and available chemicals: models of metabolite-likeness
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The Role of Coenzyme Q10 in Statin-Associated Myopathy
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A Structure-based Anatomy of the E.coli Metabolome
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Can we rationally design promiscuous drugs?
inferredcites →https://doi.org/10.1016/s0966-842x(03)00103-3openalex-snapshot
Transcription regulation and environmental adaptation in bacteria
inferredcites →https://doi.org/10.1016/s1093-3263(00)00068-1openalex-snapshot
A widely applicable set of descriptors
inferredcites →https://doi.org/10.1016/s1367-5931(02)00329-0openalex-snapshot
Chemical space navigation in lead discovery
inferredcites →https://doi.org/10.1021/bi050247eopenalex-snapshot
Mechanistic Basis of Enzyme-Targeted Drugs
inferredcites →https://doi.org/10.1021/bi7014629openalex-snapshot
Why Metabolic Enzymes Are Essential or Nonessential for Growth of Escherichia coli K12 on Glucose
inferredcites →https://doi.org/10.1021/cc000097lopenalex-snapshot
Scaffold Architecture and Pharmacophoric Properties of Natural Products and Trade Drugs: Application in the Design of Natural Product-Based Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci00017a013openalex-snapshot
Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility
inferredcites →https://doi.org/10.1021/ci0003303openalex-snapshot
Distinguishing between Natural Products and Synthetic Molecules by Descriptor Shannon Entropy Analysis and Binary QSAR Calculations
inferredcites →https://doi.org/10.1021/ci0200467openalex-snapshot
Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/ci025584yopenalex-snapshot
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
inferredcites →https://doi.org/10.1021/ci034160gopenalex-snapshot
Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling
inferredcites →https://doi.org/10.1021/ci0601160openalex-snapshot
Chemoinformatics-Based Classification of Prohibited Substances Employed for Doping in Sport
inferredcites →https://doi.org/10.1021/ci060117sopenalex-snapshot
On Outliers and Activity CliffsWhy QSAR Often Disappoints
inferredcites →https://doi.org/10.1021/ci0601517openalex-snapshot
Comparative QSAR- and Fragments Distribution Analysis of Drugs, Druglikes, Metabolic Substances, and Antimicrobial Compounds
inferredcites →https://doi.org/10.1021/ci600289vopenalex-snapshot
Virtual Screening of Chinese Herbs with Random Forest
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/10.1021/np068054vopenalex-snapshot
Natural Products as Sources of New Drugs over the Last 25 Years
inferredcites →https://doi.org/10.1038/35036627openalex-snapshot
The large-scale organization of metabolic networks
inferredcites →https://doi.org/10.1038/nature03193openalex-snapshot
Navigating chemical space for biology and medicine
inferredcites →https://doi.org/10.1038/nbt1228openalex-snapshot
Global mapping of pharmacological space
inferredcites →https://doi.org/10.1073/pnas.0503647102openalex-snapshot
Charting biologically relevant chemical space: A structural classification of natural products (SCONP)
inferredcites →https://doi.org/10.1073/pnas.31.6.153openalex-snapshot
On the Evolution of Biochemical Syntheses
inferredcites →https://doi.org/10.1093/nar/27.1.29openalex-snapshot
KEGG: Kyoto Encyclopedia of Genes and Genomes
inferredcites →https://doi.org/10.1093/nar/28.1.27openalex-snapshot
KEGG: Kyoto Encyclopedia of Genes and Genomes
inferredcites →https://doi.org/10.1093/nar/30.1.402openalex-snapshot
LIGAND: database of chemical compounds and reactions in biological pathways
inferredcites →https://doi.org/10.1093/nar/gki026openalex-snapshot
The European Bioinformatics Institute's data resources: towards systems biology
inferredcites →https://doi.org/10.1093/nar/gkl923openalex-snapshot
HMDB: the Human Metabolome Database
inferredcites →https://doi.org/10.1093/nar/gkm958openalex-snapshot
DrugBank: a knowledgebase for drugs, drug actions and drug targets
inferredcites →https://doi.org/10.1101/gr.1239303openalex-snapshot
Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks
inferredcites →https://doi.org/10.1126/science.287.5460.1964openalex-snapshot
Target-Oriented and Diversity-Oriented Organic Synthesis in Drug Discovery
inferredcites →https://doi.org/10.1128/aac.00344-08openalex-snapshot
Limited Inhibitory Effects of Oseltamivir and Zanamivir on Human Sialidases
inferredcites →https://doi.org/10.1186/1471-2105-8-88openalex-snapshot
Regulation of metabolic networks by small molecule metabolites
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/minf.201100110openalex-snapshot
Automatic Perception of Chemical Similarities Between Metabolic Pathways
inferred← citeshttps://doi.org/10.1007/978-981-99-2322-9_43openalex-snapshot
Metabolic Pathway Class Prediction Using Graph Convolutional Network (GCN)
inferred← citeshttps://doi.org/10.1016/j.cbpa.2011.03.008openalex-snapshot
Toward mechanistic classification of enzyme functions
inferred← citeshttps://doi.org/10.1016/j.ibmed.2023.100101openalex-snapshot
Machine learning for metabolomics research in drug discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00711openalex-snapshot
PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks
inferred← citeshttps://doi.org/10.1021/ci300512qopenalex-snapshot
BioSM: Metabolomics Tool for Identifying Endogenous Mammalian Biochemical Structures in Chemical Structure Space
inferred← citeshttps://doi.org/10.1021/ci300513mopenalex-snapshot
MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13
inferred← citeshttps://doi.org/10.1021/ci500517vopenalex-snapshot
Metabolic Pathway Predictions for Metabolomics: A Molecular Structure Matching Approach
inferred← citeshttps://doi.org/10.1093/bioinformatics/btae359openalex-snapshot
A deep learning architecture for metabolic pathway prediction
inferred← citeshttps://doi.org/10.1093/bioinformatics/btz954openalex-snapshot
A deep learning architecture for metabolic pathway prediction
inferred← citeshttps://doi.org/10.1142/s0219720023500178openalex-snapshot
DeepRT: Predicting compounds presence in pathway modules and classifying into module classes using deep neural networks based on molecular properties
inferred← citeshttps://doi.org/10.1145/3468784.3471608openalex-snapshot
Link Prediction for Biomedical Network
inferred← citeshttps://doi.org/10.1155/2011/525497openalex-snapshot
Navigating the Human Metabolome for Biomarker Identification and Design of Pharmaceutical Molecules
inferred← citeshttps://doi.org/10.1186/s12859-021-04252-yopenalex-snapshot
Predicting biological pathways of chemical compounds with a profile-inspired approach
inferred← citeshttps://doi.org/10.21203/rs.3.rs-1140648/v1openalex-snapshot
Supervised learning techniques to predict compounds in pathway modules based on molecular properties
inferred← citeshttps://doi.org/10.36227/techrxiv.14561880openalex-snapshot
Supervised learning techniques to predict compounds in pathway modules based on molecular properties
inferred← citeshttps://doi.org/10.36227/techrxiv.14561880.v1openalex-snapshot
Supervised learning techniques to predict compounds in pathway modules based on molecular properties
inferred← citeshttps://doi.org/10.6084/m9.figshare.14775379openalex-snapshot
Additional file 1 of Predicting biological pathways of chemical compounds with a profile-inspired approach
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