Understanding and classifying metabolite space and metabolite-likeness
about
How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusionChemical structure identification in metabolomics: computational modeling of experimental featuresMetabolomics and systems pharmacology: why and how to model the human metabolic network for drug discoveryOMG: Open Molecule GeneratorMetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous MetabolitesBuilding blocks for automated elucidation of metabolites: natural product-likeness for candidate rankingCASMI: And the Winner is . .Annotation of metabolites from gas chromatography/atmospheric pressure chemical ionization tandem mass spectrometry data using an in silico generated compound database and MetFrag.Tackling CASMI 2012: Solutions from MetFrag and MetFusionExpedient data mining for nontargeted high-resolution LC-MS profiles of biological samples.Preprocessing of NMR metabolomics data.Advanced Multidimensional Separations in Mass Spectrometry: Navigating the Big Data Deluge.BioSM: metabolomics tool for identifying endogenous mammalian biochemical structures in chemical structure spaceFinding 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.Two birds with one stone: doing metabolomics with your proteomics kit.Rethinking Mass Spectrometry-Based Small Molecule Identification Strategies in MetabolomicsA molecular structure matching approach to efficient identification of endogenous mammalian biochemical structures.Illuminating the dark matter in metabolomicsNPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target databaseSum of the parts: mass spectrometry-based metabolomicsIntegrating ion mobility spectrometry into mass spectrometry-based exposome measurements: what can it add and how far can it go?Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS.Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolitesA 'rule of 0.5' for the metabolite-likeness of approved pharmaceutical drugs.Analysis of drug-endogenous human metabolite similarities in terms of their maximum common substructures.Analysing and Navigating Natural Products Space for Generating Small, Diverse, But Representative Chemical Libraries.Metabolomics-based approach for ranking the candidate structures of unidentified peaks in capillary electrophoresis time-of-flight mass spectrometry.The octet rule in chemical space: generating virtual molecules.Propagating annotations of molecular networks using in silico fragmentation.Structural elucidation of low abundant metabolites in complex sample matrices
P2860
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P2860
Understanding and classifying metabolite space and metabolite-likeness
description
2011 nî lūn-bûn
@nan
2011 թուականին հրատարակուած գիտական յօդուած
@hyw
2011 թվականին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Understanding and classifying metabolite space and metabolite-likeness
@ast
Understanding and classifying metabolite space and metabolite-likeness
@en
Understanding and classifying metabolite space and metabolite-likeness
@nl
type
label
Understanding and classifying metabolite space and metabolite-likeness
@ast
Understanding and classifying metabolite space and metabolite-likeness
@en
Understanding and classifying metabolite space and metabolite-likeness
@nl
prefLabel
Understanding and classifying metabolite space and metabolite-likeness
@ast
Understanding and classifying metabolite space and metabolite-likeness
@en
Understanding and classifying metabolite space and metabolite-likeness
@nl
P2093
P2860
P50
P3181
P1433
P1476
Understanding and classifying metabolite space and metabolite-likeness
@en
P2093
Julio E Peironcely
Leon Coulier
Theo Reijmers
P2860
P304
P3181
P356
10.1371/JOURNAL.PONE.0028966
P407
P577
2011-01-01T00:00:00Z