CHEMISTRY  Comparing the EPA CompTox Dashboard with ChemSpider for MS-based Structure Identification ANTONY WILLIAMS

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Microsoft Word - ICBP Menu Card_2016_CHEM.doc

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• Chemical databases
• Academia
• Library science
• Information science
• ChemSpider
• Reaxys
• Organic chemistry
• Inorganic compound
• Chemical synthesis
• Organic food
• Chemical Abstracts Service
• Scopus

Big data in drug discovery What is a nanopublication? The expensive and difficult process of discovering drugs

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• Data management
• Drug discovery
• Biological databases
• OpenPHACTS
• ChemSpider
• Data integration
• Big data
• Database
• Pharmaceutical industry
• DisGeNET

ChemTrove: Enabling a generic ELN to support Chemistry by integrating ChemSpider widgets and templates 1, 2,

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CrystEngComm www.rsc.org/crystengcomm ChemSpider can help you! I need to know the structure of

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The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets

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• Encodings
• Chemical nomenclature
• Chemical databases
• Computational chemistry
• Chemical table file
• Simplified molecular-input line-entry specification
• International Chemical Identifier
• Molecule editor
• ChemSpider
• Science
• Chemistry
• Cheminformatics

Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data

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• Computational chemistry
• Chemical nomenclature
• Encodings
• Chemical table file
• Mobile Molecular DataSheet
• ChemSpider
• International Chemical Identifier
• Simplified molecular-input line-entry specification
• PubChem
• Science
• Chemistry
• Cheminformatics

Openness as infrastructure

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• Chemical nomenclature
• Identifiers
• Computational chemistry
• Encodings
• International Chemical Identifier
• InChI Trust
• Chemical database
• Simplified molecular-input line-entry specification
• ChemSpider
• Chemistry
• Science
• Cheminformatics

ISSUE 04 The biannual newsletter from the IUPHAR

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• Pharmacology
• Membrane biology
• Pyrimidines
• Signal transduction
• Piperazines
• International Union of Basic and Clinical Pharmacology
• Protein kinase
• ChemSpider
• Receptor
• Biology
• Chemistry
• Pharmaceutical sciences

Akhondi et al. Journal of Cheminformatics 2015, 7(Suppl 1):S10 http://www.jcheminf.com/content/7/S1/S10 RESEARCH Open Access

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• American Chemical Society
• Natural language processing
• Information retrieval
• Named-entity recognition
• F1 score
• Chemistry
• ChemSpider
• Chunking
• Precision and recall
• Science
• Computational linguistics
• Chemical databases