The Blue Obelisk-interoperability in chemical informatics
about
Open science is a research acceleratorOpen Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years onAvogadro: an advanced semantic chemical editor, visualization, and analysis platformBioclipse: an open source workbench for chemo- and bioinformaticsOpen access and open source in chemistryBioclipse 2: a scriptable integration platform for the life sciencesSemantic similarity for automatic classification of chemical compoundsSCRIPDB: a portal for easy access to syntheses, chemicals and reactions in patentsSuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactionsRemediation of the protein data bank archiveThe Chemical Information Ontology: provenance and disambiguation for chemical data on the biological semantic webUserscripts for the life sciencesLinking the Resource Description Framework to cheminformatics and proteochemometricsMolecular ChemometricsTowards interoperable and reproducible QSAR analyses: Exchange of datasetsA Survey of Quantitative Descriptions of Molecular StructureSwissParam: A fast force field generation tool for small organic moleculescclib: A library for package-independent computational chemistry algorithmsVery fast prediction and rationalization of pKa values for protein-ligand complexesSamb V ca: A Web Application for the Calculation of the Buried Volume of N-Heterocyclic Carbene LigandsThe SIESTA method; developments and applicabilitySwissDock, a protein-small molecule docking web service based on EADock DSSFinding MOFs for highly selective CO2/N2 adsorption using materials screening based on efficient assignment of atomic point chargesFast and Accurate Modeling of Molecular Atomization Energies with Machine LearningIn Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with FluvoxamineIn silicoidentification and crystal structure validation of caspase-3 inhibitors without a P1 aspartic acid moietyThe prion protein binds thiamineChemistry publication – making the revolutionSoftware platform virtualization in chemistry research and university teaching.How Large Is the Metabolome? A Critical Analysis of Data Exchange Practices in ChemistryOpenTox predictive toxicology framework: toxicological ontology and semantic media wiki-based OpenToxipedia.OrChem - An open source chemistry search engine for Oracle(R)Optimal assignment methods for ligand-based virtual screeningwwLigCSRre: a 3D ligand-based server for hit identification and optimizationACPYPE - AnteChamber PYthon Parser interfacEVirtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and VinaA structure-based approach for mapping adverse drug reactions to the perturbation of underlying biological pathwaysIntegrating statistical predictions and experimental verifications for enhancing protein-chemical interaction predictions in virtual screeningStructure-based drug design of a new chemical class of small molecules active against influenza A nucleoprotein in vitro and in vivoAutoClickChem: click chemistry in silico
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P2860
The Blue Obelisk-interoperability in chemical informatics
description
2006 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2006 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
article scientifique (publié 2006/02/22)
@fr
articolo scientifico (pubblicato il 2006/02/22)
@it
artigo científico (publicado na 2006/02/22)
@pt
artículu científicu espublizáu en 2006
@ast
im Februar 2006 veröffentlichter wissenschaftlicher Artikel
@de
peer-reviewed research article
@en
vedecký článok (publikovaný 2006/02/22)
@sk
vetenskaplig artikel (publicerad på 2006/02/22)
@sv
name
The Blue Obelisk-interoperability in chemical informatics
@ast
The Blue Obelisk-interoperability in chemical informatics
@en
The Blue Obelisk-interoperability in chemical informatics
@nl
type
label
The Blue Obelisk-interoperability in chemical informatics
@ast
The Blue Obelisk-interoperability in chemical informatics
@en
The Blue Obelisk-interoperability in chemical informatics
@nl
altLabel
Blue Obelisk - Interoperability in chemical informatics
@en
The Blue Obelisk—Interoperability in Chemical Informatics
@en
prefLabel
The Blue Obelisk-interoperability in chemical informatics
@ast
The Blue Obelisk-interoperability in chemical informatics
@en
The Blue Obelisk-interoperability in chemical informatics
@nl
P2860
P50
P921
P356
P1476
The Blue Obelisk-interoperability in chemical informatics
@en
P2093
Jörg Wegner
Michael T Howard
P2860
P356
10.1021/CI050400B
P407
P50
P577
2006-02-22T00:00:00Z