InChI - the worldwide chemical structure identifier standard
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PubChemRDF: towards the semantic annotation of PubChem compound and substance databasesApplications of the InChI in cheminformatics with the CDK and BioclipseInChI, the IUPAC International Chemical IdentifierChemoinformatics: Achievements and Challenges, a Personal ViewCommon Amino Acid Subsequences in a Universal Proteome--Relevance for Food ScienceEC-BLAST: a tool to automatically search and compare enzyme reactionsDrugCentral: online drug compendiumMetFrag relaunched: incorporating strategies beyond in silico fragmentationMINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomicsSPLASH, a hashed identifier for mass spectraSelectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learningUniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layersThe Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasetsAmbiguity of non-systematic chemical identifiers within and between small-molecule databasesStandards-based curation of a decade-old digital repository dataset of molecular informationWikiHyperGlossary (WHG): an information literacy technology for chemistry documentsPubChem Substance and Compound databasesMany InChIs and quite some featThe metabolome 18 years on: a concept comes of ageInternational chemical identifier for reactions (RInChI)A review of methods for the calculation of solution free energies and the modelling of systems in solutionIntegrated Computational Solution for Predicting Skin Sensitization Potential of MoleculesComparative evaluation of open source software for mapping between metabolite identifiers in metabolic network reconstructions: application to Recon 2Reconstruction and validation of a genome-scale metabolic model for the filamentous fungus Neurospora crassa using FARMAnnotated chemical patent corpus: a gold standard for text miningA large-scale crop protection bioassay data setThe RCSB Protein Data Bank: views of structural biology for basic and applied research and educationExperimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening SamplesS2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligandsA possible extension to the RInChI as a means of providing machine readable process data.Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.Tackling CASMI 2012: Solutions from MetFrag and MetFusionOpen-access metabolomics databases for natural product research: present capabilities and future potential.Chemical annotation of small and peptide-like molecules at the Protein Data Bank.Small molecule annotation for the Protein Data Bank.The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank.Similarity-based prediction for Anatomical Therapeutic Chemical classification of drugs by integrating multiple data sources.Prediction of blood:air and fat:air partition coefficients of volatile organic compounds for the interpretation of data in breath gas analysis.Accessing the High-Throughput Screening Data Landscape.Toward Community Standards and Software for Whole-Cell Modeling
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P2860
InChI - the worldwide chemical structure identifier standard
description
2013 nî lūn-bûn
@nan
2013 թուականին հրատարակուած գիտական յօդուած
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2013 թվականին հրատարակված գիտական հոդված
@hy
2013年の論文
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2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
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name
InChI - the worldwide chemical structure identifier standard
@ast
InChI - the worldwide chemical structure identifier standard
@en
InChI - the worldwide chemical structure identifier standard
@en-gb
InChI - the worldwide chemical structure identifier standard
@nl
type
label
InChI - the worldwide chemical structure identifier standard
@ast
InChI - the worldwide chemical structure identifier standard
@en
InChI - the worldwide chemical structure identifier standard
@en-gb
InChI - the worldwide chemical structure identifier standard
@nl
prefLabel
InChI - the worldwide chemical structure identifier standard
@ast
InChI - the worldwide chemical structure identifier standard
@en
InChI - the worldwide chemical structure identifier standard
@en-gb
InChI - the worldwide chemical structure identifier standard
@nl
P50
P921
P3181
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InChI - the worldwide chemical structure identifier standard
@en
P2860
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P3181
P356
10.1186/1758-2946-5-7
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P577
2013-01-01T00:00:00Z
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1018367438