InChI, the IUPAC International Chemical IdentifierBioinformatics and systems biology of the lipidomeCommunication and re-use of chemical information in bioscience.Userscripts for the life sciencesChemistry publication – making the revolutionSPLASH, a hashed identifier for mass spectraA practical Java tool for small-molecule compound appraisalThe Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasetsManaging expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patentsMetrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modelingHow Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in ChemistryPubChem Substance and Compound databasesMany InChIs and quite some featInternet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules-Search Options and Applications in Food ScienceTowards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChIThe Cambridge Structural DatabaseBindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacologyCASMI: And the Winner is . .The semantic architecture of the World-Wide Molecular Matrix (WWMM)Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening SamplesThe Drug Repurposing Hub: a next-generation drug library and information resourceExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomicsCMLLite: a design philosophy for CML.On InChI and evaluating the quality of cross-reference linksCommon cases of improper lipid annotation using high-resolution tandem mass spectrometry data and corresponding limitations in biological interpretation.Correcting ligands, metabolites, and pathways.Unique identifiers for small molecules enable rigorous labeling of their atoms.Quantum chemistry structures and properties of 134 kilo molecules.A Computational Solution to Automatically Map Metabolite Libraries in the Context of Genome Scale Metabolic NetworksMetabolomics by Gas Chromatography-Mass Spectrometry: Combined Targeted and Untargeted ProfilingGetting the most out of PubChem for virtual screeningLIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data.Characterisation of data resources for in silico modelling: benchmark datasets for ADME properties.Lipid classification, structures and toolsbiochem4j: Integrated and extensible biochemical knowledge through graph databases.Active learning for computational chemogenomics.Glycosaminoglycanomics: where we are.Introduction to Cheminformatics.Integration among databases and data sets to support productive nanotechnology: Challenges and recommendationsComputational approaches to chemical hazard assessment.
P2860
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P2860
description
2015 nî lūn-bûn
@nan
2015 թուականին հրատարակուած գիտական յօդուած
@hyw
2015 թվականին հրատարակված գիտական հոդված
@hy
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
InChI, the IUPAC International Chemical Identifier
@ast
InChI, the IUPAC International Chemical Identifier
@en
InChI, the IUPAC International Chemical Identifier
@en-gb
InChI, the IUPAC International Chemical Identifier
@nl
type
label
InChI, the IUPAC International Chemical Identifier
@ast
InChI, the IUPAC International Chemical Identifier
@en
InChI, the IUPAC International Chemical Identifier
@en-gb
InChI, the IUPAC International Chemical Identifier
@nl
prefLabel
InChI, the IUPAC International Chemical Identifier
@ast
InChI, the IUPAC International Chemical Identifier
@en
InChI, the IUPAC International Chemical Identifier
@en-gb
InChI, the IUPAC International Chemical Identifier
@nl
P2860
P50
P921
P3181
P1476
InChI, the IUPAC International Chemical Identifier
@en
P2860
P2888
P3181
P356
10.1186/S13321-015-0068-4
P407
P577
2015-01-01T00:00:00Z
P5875
P6179
1049291781