| scholarly article | Q13442814 |
| P356 | DOI | 10.1016/J.DRUDIS.2013.07.014 |
| P953 | full work available at URL | https://api.elsevier.com/content/article/PII:S1359644613002481?httpAccept=text/plain |
| https://api.elsevier.com/content/article/PII:S1359644613002481?httpAccept=text/xml | ||
| https://doi.org/10.1016/j.drudis.2013.07.014 | ||
| https://europepmc.org/articles/PMC3989035 | ||
| P3181 | OpenCitations bibliographic resource ID | 1003439 |
| P932 | PMC publication ID | 3989035 |
| P698 | PubMed publication ID | 23892182 |
| P5875 | ResearchGate publication ID | 253334477 |
| P50 | author | Douglas Kell | Q5301676 |
| Roy Goodacre | Q57058337 | ||
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| Fluorescence correlation spectroscopy diffusion laws to probe the submicron cell membrane organization | Q34352471 | ||
| MetiTree: a web application to organize and process high-resolution multi-stage mass spectrometry metabolomics data | Q34360843 | ||
| Combining peak- and chromatogram-based retention time alignment algorithms for multiple chromatography-mass spectrometry datasets | Q34392856 | ||
| Extensive in vivo metabolite-protein interactions revealed by large-scale systematic analyses | Q34421346 | ||
| Global topology analysis of the Escherichia coli inner membrane proteome | Q34421914 | ||
| Metabolic footprinting and systems biology: the medium is the message | Q34426189 | ||
| NMR and pattern recognition methods in metabolomics: from data acquisition to biomarker discovery: a review | Q34444673 | ||
| Membranes are more mosaic than fluid | Q34471724 | ||
| Systems Pharmacology to Predict Drug Toxicity: Integration Across Levels of Biological Organization | Q34472387 | ||
| Stable isotope-assisted metabolomics to detect metabolic flux changes in mammalian cell cultures | Q34473046 | ||
| An application of a relational database system for high-throughput prediction of elemental compositions from accurate mass values | Q34480776 | ||
| Non-linear optimization of biochemical pathways: applications to metabolic engineering and parameter estimation | Q34490423 | ||
| A community effort towards a knowledge-base and mathematical model of the human pathogen Salmonella Typhimurium LT2 | Q34547091 | ||
| Metabolomics and systems biology: making sense of the soup | Q34548620 | ||
| Mechanistic analysis of multi-omics datasets to generate kinetic parameters for constraint-based metabolic models. | Q34566795 | ||
| MyCompoundID: using an evidence-based metabolome library for metabolite identification | Q34571864 | ||
| Metabolomics: building on a century of biochemistry to guide human health | Q34591242 | ||
| Finding novel pharmaceuticals in the systems biology era using multiple effective drug targets, phenotypic screening and knowledge of transporters: where drug discovery went wrong and how to fix it. | Q34646772 | ||
| Metabolomics: a global biochemical approach to drug response and disease | Q34734298 | ||
| Systems approaches to polypharmacology and drug discovery | Q34746314 | ||
| Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum | Q34930194 | ||
| Implications of the dominant role of transporters in drug uptake by cells | Q34939329 | ||
| Pulsatile stimulation determines timing and specificity of NF-kappaB-dependent transcription | Q34975036 | ||
| FAME, the Flux Analysis and Modeling Environment | Q28258452 | ||
| The markup is the model: reasoning about systems biology models in the Semantic Web era | Q28259568 | ||
| Drug discovery: Predicting promiscuity | Q28264510 | ||
| OptFlux: an open-source software platform for in silico metabolic engineering | Q28280084 | ||
| Trimethylamine-N-Oxide, a Metabolite Associated with Atherosclerosis, Exhibits Complex Genetic and Dietary Regulation | Q28283087 | ||
| Oscillations in NF-kappaB signaling control the dynamics of gene expression | Q28289121 | ||
| High-throughput generation, optimization and analysis of genome-scale metabolic models | Q28291992 | ||
| Utopia documents: linking scholarly literature with research data | Q28292614 | ||
| Can we rationally design promiscuous drugs? | Q28294268 | ||
| The 'evolvability' of promiscuous protein functions | Q28295483 | ||
| Network pharmacology: the next paradigm in drug discovery | Q28297997 | ||
| Differential metabolomics reveals ophthalmic acid as an oxidative stress biomarker indicating hepatic glutathione consumption | Q28306678 | ||
| How to improve R&D productivity: the pharmaceutical industry's grand challenge | Q28314992 | ||
| Iron behaving badly: inappropriate iron chelation as a major contributor to the aetiology of vascular and other progressive inflammatory and degenerative diseases | Q28388335 | ||
| Network-Based Relating Pharmacological and Genomic Spaces for Drug Target Identification | Q28474912 | ||
| Drug Off-Target Effects Predicted Using Structural Analysis in the Context of a Metabolic Network Model | Q28475693 | ||
| Understanding and classifying metabolite space and metabolite-likeness | Q28478426 | ||
| MetaboSearch: Tool for Mass-Based Metabolite Identification Using Multiple Databases | Q28480894 | ||
| Shrinking the Metabolic Solution Space Using Experimental Datasets | Q28483028 | ||
| Testing biochemistry revisited: how in vivo metabolism can be understood from in vitro enzyme kinetics | Q28483283 | ||
| Reconstruction of genome-scale active metabolic networks for 69 human cell types and 16 cancer types using INIT | Q28483779 | ||
| Characterizing the Network of Drugs and Their Affected Metabolic Subpathways | Q28484558 | ||
| Chapter 3: Small molecules and disease | Q28484584 | ||
| A method for comparing multivariate time series with different dimensions | Q28485976 | ||
| A mammalian siderophore synthesized by an enzyme with a bacterial homolog involved in enterobactin production | Q28511945 | ||
| Metabolite profiling for plant functional genomics | Q28540952 | ||
| Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database | Q28686521 | ||
| The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013 | Q28710191 | ||
| MetaboLights: towards a new COSMOS of metabolomics data management | Q28727284 | ||
| Metabolomic profiling reveals mitochondrial-derived lipid biomarkers that drive obesity-associated inflammation | Q28728589 | ||
| Controlled vocabularies and semantics in systems biology | Q28732715 | ||
| Empowering industrial research with shared biomedical vocabularies | Q28842711 | ||
| Protein structure prediction from sequence variation | Q28914772 | ||
| Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research | Q29014502 | ||
| Dynamic metabolomic data analysis: a tutorial review | Q33546332 | ||
| Network systems biology for drug discovery | Q33592795 | ||
| Nontargeted elucidation of metabolic pathways using stable-isotope tracers and mass spectrometry | Q33626814 | ||
| Parameter estimation in biochemical pathways: a comparison of global optimization methods | Q33682039 | ||
| Single cell metabolomics. | Q33713923 | ||
| Metabolomic Analysis and Visualization Engine for LC−MS Data | Q33738016 | ||
| Macromolecular compartmentation and channeling. | Q33769793 | ||
| One hundred years of membrane permeability: does Overton still rule? | Q33787924 | ||
| New figures of merit for comprehensive functional genomics data: the metabolomics case | Q33842521 | ||
| Drug screening in a zebrafish model of Duchenne muscular dystrophy. | Q33845739 | ||
| Ultra-fast searching assists in evaluating sub-ppm mass accuracy enhancement in U-HPLC/Orbitrap MS data. | Q33861466 | ||
| Applications of mass spectrometry to metabolomics and metabonomics: Detection of biomarkers of aging and of age‐related diseases | Q33888328 | ||
| Two-stage flux balance analysis of metabolic networks for drug target identification | Q33937472 | ||
| Lipid rafts: at a crossroad between cell biology and physics. | Q34001726 | ||
| Steady-state global optimization of metabolic non-linear dynamic models through recasting into power-law canonical models | Q34002893 | ||
| An exometabolomics approach to monitoring microbial contamination in microalgal fermentation processes by using metabolic footprint analysis | Q34028387 | ||
| The human metabolic reconstruction Recon 1 directs hypotheses of novel human metabolic functions | Q34036307 | ||
| Systematic functional analysis of the yeast genome | Q34067467 | ||
| Detection of "oncometabolite" 2-hydroxyglutarate by magnetic resonance analysis as a biomarker of IDH1/2 mutations in glioma | Q34101190 | ||
| Event extraction for systems biology by text mining the literature | Q34122157 | ||
| Role of systems pharmacology in understanding drug adverse events | Q34134791 | ||
| Dissecting variability in responses to cancer chemotherapy through systems pharmacology | Q34139962 | ||
| Identification of metabolic biomarkers to diagnose epithelial ovarian cancer using a UPLC/QTOF/MS platform | Q34142972 | ||
| Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets | Q34164910 | ||
| Navigating the human metabolome for biomarker identification and design of pharmaceutical molecules. | Q34170091 | ||
| In situ metabolomic mass spectrometry imaging: recent advances and difficulties | Q34172471 | ||
| A genome-wide association study of metabolic traits in human urine | Q34185066 | ||
| Pharmaceutical drug transport: the issues and the implications that it is essentially carrier-mediated only | Q34188324 | ||
| The SuBliMinaL Toolbox: automating steps in the reconstruction of metabolic networks | Q34233757 | ||
| The core control system of intracellular iron homeostasis: A mathematical model | Q34250374 | ||
| Diagnosing the decline in pharmaceutical R&D efficiency | Q34257771 | ||
| Model-based approaches for the determination of lipid bilayer structure from small-angle neutron and X-ray scattering data. | Q34269919 | ||
| An accelerated workflow for untargeted metabolomics using the METLIN database | Q34298853 | ||
| ECMDB: the E. coli Metabolome Database | Q34308903 | ||
| Here is the evidence, now what is the hypothesis? The complementary roles of inductive and hypothesis-driven science in the post-genomic era | Q29398873 | ||
| Network medicine: a network-based approach to human disease | Q29547462 | ||
| Cytoscape 2.8: new features for data integration and network visualization | Q29547471 | ||
| A community-driven global reconstruction of human metabolism. | Q29614690 | ||
| Global analysis of protein phosphorylation in yeast | Q29615057 | ||
| Global mapping of pharmacological space | Q29615876 | ||
| Can the pharmaceutical industry reduce attrition rates? | Q29616077 | ||
| How were new medicines discovered? | Q29616641 | ||
| Membrane transporters in drug development | Q29616802 | ||
| COPASI--a COmplex PAthway SImulator | Q29617467 | ||
| Grapefruit-medication interactions: forbidden fruit or avoidable consequences? | Q24611177 | ||
| Predicting new molecular targets for known drugs | Q24649687 | ||
| Global reconstruction of the human metabolic network based on genomic and bibliomic data | Q24677060 | ||
| Grapefruit juice-drug interactions | Q24683430 | ||
| The exposome: from concept to utility | Q26821776 | ||
| Metabolomics in diabetes research | Q26822794 | ||
| Systems Pharmacology: Network Analysis to Identify Multiscale Mechanisms of Drug Action | Q26824166 | ||
| Systems pharmacology of complex diseases | Q26830739 | ||
| Developing New Drug Treatments in the Era of Network Medicine | Q26865960 | ||
| Metabolomics and cardiovascular biomarker discovery | Q26991473 | ||
| Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review | Q27008867 | ||
| Obesity and psychotic disorders: uncovering common mechanisms through metabolomics | Q27011617 | ||
| LC-MS-based metabolomics | Q27015012 | ||
| Correlated imaging--a grand challenge in chemical analysis | Q27024439 | ||
| Open PHACTS: semantic interoperability for drug discovery | Q27061937 | ||
| Elemental composition determination based on MSn | Q27134827 | ||
| Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral Trees | Q27156570 | ||
| Growth control of the eukaryote cell: a systems biology study in yeast | Q27499776 | ||
| Iron traffics in circulation bound to a siderocalin (Ngal)–catechol complex | Q27662810 | ||
| Serine is a natural ligand and allosteric activator of pyruvate kinase M2 | Q27674495 | ||
| RIKEN tandem mass spectral database (ReSpect) for phytochemicals: A plant-specific MS/MS-based data resource and database | Q27807496 | ||
| MetaboLights--an open-access general-purpose repository for metabolomics studies and associated meta-data | Q27818909 | ||
| Statistical strategies for avoiding false discoveries in metabolomics and related experiments | Q27887473 | ||
| Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics | Q27887476 | ||
| Toward interoperable bioscience data | Q28090939 | ||
| Cyclic GMP-AMP is an endogenous second messenger in innate immune signaling by cytosolic DNA | Q28118718 | ||
| A functional genomics strategy that uses metabolome data to reveal the phenotype of silent mutations | Q28141411 | ||
| The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models | Q28212902 | ||
| The control of flux | Q28237216 | ||
| Computational modeling of biochemical networks using COPASI | Q28243015 | ||
| A Linear Steady-State Treatment of Enzymatic Chains. General Properties, Control and Effector Strength | Q28246120 | ||
| Human metabolic individuality in biomedical and pharmaceutical research | Q28247002 | ||
| Efficient discovery of anti-inflammatory small-molecule combinations using evolutionary computing | Q28251171 | ||
| P275 | copyright license | Creative Commons Attribution 3.0 Unported | Q14947546 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P4510 | describes a project that uses | Cytoscape | Q3699942 |
| P433 | issue | 2 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | pharmacology | Q128406 |
| metabolomics | Q12149006 | ||
| drug discovery | Q1418791 | ||
| metabolic network | Q2263094 | ||
| biomedical investigative technique | Q66648976 | ||
| P304 | page(s) | 171-82 | |
| P577 | publication date | 2013-07-26 | |
| 2014-02-01 | |||
| P13046 | publication type of scholarly work | review article | Q7318358 |
| P1433 | published in | Drug Discovery Today | Q3040085 |
| P1476 | title | Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery | |
| P478 | volume | 19 |
| Q49170560 | 8u, a pro-apoptosis/cell cycle arrest compound, suppresses invasion and metastasis through HSP90α downregulating and PI3K/Akt inactivation in hepatocellular carcinoma cells. |
| Q41861993 | A 'rule of 0.5' for the metabolite-likeness of approved pharmaceutical drugs |
| Q29248210 | A Bacterial Component to Alzheimer’s-Type Dementia Seen via a Systems Biology Approach that Links Iron Dysregulation and Inflammagen Shedding to Disease |
| Q28069689 | A Dormant Microbial Component in the Development of Preeclampsia |
| Q30953959 | A data preprocessing strategy for metabolomics to reduce the mask effect in data analysis |
| Q91926156 | A novel approach based on metabolomics coupled with network pharmacology to explain the effect mechanisms of Danggui Buxue Tang in anaemia |
| Q52367722 | Advances in Drug Discovery and Development in Geriatric Psychiatry |
| Q38607534 | Advances in metabolome information retrieval: turning chemistry into biology. Part II: biological information recovery |
| Q34867072 | An analysis of a 'community-driven' reconstruction of the human metabolic network |
| Q41959283 | Analysis of drug-endogenous human metabolite similarities in terms of their maximum common substructures |
| Q35149924 | Analytical methods in untargeted metabolomics: state of the art in 2015. |
| Q28074451 | Applying metabolomics to cardiometabolic intervention studies and trials: past experiences and a roadmap for the future |
| Q30359211 | Brain Metabolic Changes in Rats following Acoustic Trauma |
| Q55052921 | Chytridiomycosis causes catastrophic organism-wide metabolic dysregulation including profound failure of cellular energy pathways. |
| Q26742050 | Clinical Metabolomics: The New Metabolic Window for Inborn Errors of Metabolism Investigations in the Post-Genomic Era |
| Q38994528 | Commentary on "Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks". |
| Q38942405 | Comparative metabolism of tramadol and tapentadol: a toxicological perspective. |
| Q91975754 | Current Status and Future Prospects of Genome-Scale Metabolic Modeling to Optimize the Use of Mesenchymal Stem Cells in Regenerative Medicine |
| Q94585158 | Differential metabolic markers associated with primary open-angle glaucoma and cataract in human aqueous humor |
| Q36342657 | Enhancing Drug Efficacy and Therapeutic Index through Cheminformatics-Based Selection of Small Molecule Binary Weapons That Improve Transporter-Mediated Targeting: A Cytotoxicity System Based on Gemcitabine |
| Q26780025 | Fitting Transporter Activities to Cellular Drug Concentrations and Fluxes: Why the Bumblebee Can Fly |
| Q93110914 | Generation of a Small Library of Natural Products Designed to Cover Chemical Space Inexpensively |
| Q35911355 | Global Urine Metabolomics in Patients Treated with First-Line Tuberculosis Drugs and Identification of a Novel Metabolite of Ethambutol |
| Q36628128 | Global metabolic analyses identify key differences in metabolite levels between polymyxin-susceptible and polymyxin-resistant Acinetobacter baumannii |
| Q36387102 | High-Resolution Metabolomics: Review of the Field and Implications for Nursing Science and the Study of Preterm Birth |
| Q24273350 | How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusion |
| Q47658021 | In silico ADME-Tox modeling: progress and prospects |
| Q38578341 | In silico ADME/T modelling for rational drug design. |
| Q52649857 | Integrated Metabolomics and Network Pharmacology Approach to Explain Possible Action Mechanisms of Xin-Sheng-Hua Granule for Treating Anemia |
| Q40046136 | Is systems pharmacology ready to impact upon therapy development? A study on the cholesterol biosynthesis pathway |
| Q38554197 | Lipid and Metabolic Changes in Rheumatoid Arthritis. |
| Q46563408 | Mass Spectrometry in Untargeted LC-MS Metabolomics: ESI parameters and global coverage of the metabolome |
| Q28597594 | MetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous Metabolites |
| Q61811681 | Metabolic Alterations in Cardiopulmonary Vascular Dysfunction |
| Q47917846 | Metabolomics-Coupled Functional Pharmacology of Chlorophyll Compounds Isolated From the Leaves of Ficus Exasperata Vahl (Moraceae) Provides Novel Pathways on Myometrial Activity |
| Q24289470 | Molecular phenotyping of a UK population: defining the human serum metabolome |
| Q111148886 | Networks and Graphs Discovery in Metabolomics Data Analysis and Interpretation |
| Q26739684 | Proteins behaving badly. Substoichiometric molecular control and amplification of the initiation and nature of amyloid fibril formation: lessons from and for blood clotting |
| Q28601559 | Recon 2.2: from reconstruction to model of human metabolism |
| Q56974269 | Serum ferritin is an important inflammatory disease marker, as it is mainly a leakage product from damaged cells |
| Q95328891 | Serum metabolic signatures of high myopia among older Chinese adults |
| Q38287400 | Synthetic biology for the directed evolution of protein biocatalysts: navigating sequence space intelligently |
| Q29040976 | Systems Biology of the Fluxome |
| Q26768459 | Systems Pharmacology in Small Molecular Drug Discovery |
| Q35619563 | Systems biology of host-microbe metabolomics |
| Q51603812 | Systems biology study of mucopolysaccharidosis using a human metabolic reconstruction network. |
| Q40262879 | The apparent permeabilities of Caco-2 cells to marketed drugs: magnitude, and independence from both biophysical properties and endogenite similarities |
| Q48183263 | The role of stochastic gene switching in determining the pharmacodynamics of certain drugs: basic mechanisms. |
| Q93043055 | Thymus Regeneration and Future Challenges |
| Q38958767 | Towards quantitative mass spectrometry-based metabolomics in microbial and mammalian systems. |
| Q35812551 | Transparency in metabolic network reconstruction enables scalable biological discovery |
| Q93108435 | UPLC-Q-TOF/MS-Based Plasma Metabolomics to Evaluate the Effects of Aspirin Eugenol Ester on Blood Stasis in Rats |
| Q37668704 | Understanding Physiology in the Continuum: Integration of Information from Multiple -Omics Levels |
| Q40605856 | Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolites |
| Q41303216 | Working Up a Good Sweat - The Challenges of Standardising Sweat Collection for Metabolomics Analysis |
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