메뉴 건너뛰기




Volumn 3, Issue 5, 2011, Pages

Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration

Author keywords

[No Author keywords available]

Indexed keywords


EID: 80053453585     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/1758-2946-3-20     Document Type: Article
Times cited : (26)

References (42)
  • 1
    • 84884675473 scopus 로고    scopus 로고
    • Crossfire Database Suite. http://www.info.crossfiredatabases.com/
  • 3
    • 78649633211 scopus 로고    scopus 로고
    • PubChem as a public resource for drug discovery
    • doi:10.1016/j. drudis.2010.10.003
    • Q Li, T Cheng, Y Wang, SH Bryant, PubChem as a public resource for drug discovery. Drug Discov Today. 15, 1052-1057 (2010). doi:10.1016/j. drudis.2010.10.003
    • (2010) Drug Discov Today , vol.15 , pp. 1052-1057
    • Li, Q.1    Cheng, T.2    Wang, Y.3    Bryant, S.H.4
  • 4
    • 84884672634 scopus 로고    scopus 로고
    • ChemSpider Database of Chemical Structures and Property Predictions. http://www.chemspider.com/
  • 5
    • 84884675377 scopus 로고    scopus 로고
    • ChEMBL Database. https://www.ebi.ac.uk/chembl/
  • 6
    • 0345632535 scopus 로고
    • How the WLN began in 1949 and how it might be in 1999
    • WJ Wiswesser, How the WLN began in 1949 and how it might be in 1999. J Chem Inf Comput Sci. 22, 88-93 (1982)
    • (1982) J Chem Inf Comput Sci , vol.22 , pp. 88-93
    • Wiswesser, W.J.1
  • 7
    • 0023965741 scopus 로고
    • SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
    • D Weininger, SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. J Chem Inf Comput Sci. 28, 31-36 (1988) (Pubitemid 18574254)
    • (1988) Journal of Chemical Information and Computer Sciences , vol.28 , Issue.1 , pp. 31-36
    • Weininger, D.1
  • 8
    • 34249874435 scopus 로고    scopus 로고
    • The IUPAC international chemical identifier: InChl - A new standard for molecular informatics
    • A McNaught, The IUPAC International Chemical Identifier: InChl - A New Standard for Molecular Informatics. Chem International. 28, 12-15 (2006)
    • (2006) Chem International , vol.28 , pp. 12-15
    • McNaught, A.1
  • 9
    • 84884672709 scopus 로고    scopus 로고
    • Connectivity Table File Formats. http://www.symyx.com/downloads/public/ ctfile/ctfile.jsp
  • 10
    • 0008944556 scopus 로고    scopus 로고
    • XyM Markup Language (XyMML) for Electronic Communication of Chemical Documents Containing Structural Formulas and Reaction Schemes
    • S Fujita, XyM Markup Language (XyMML) for Electronic Communication of Chemical Documents Containing Structural Formulas and Reaction Schemes. J Chem Inf Comput Sci. 39, 915-927 (1999) (Pubitemid 129579825)
    • (1999) Journal of Chemical Information and Computer Sciences , vol.39 , Issue.6 , pp. 915-927
    • Fujita, S.1
  • 11
    • 35248886665 scopus 로고    scopus 로고
    • Ontology aided modeling of organic reaction mechanisms with flexible and fragment based XML markup procedures
    • DOI 10.1021/ci700043u
    • P Sankar, G Aghila, Ontology Aided Modeling of Organic Reaction Mechanisms with Flexible and Fragment Based XML Markup Procedures. J Chem Inf Model. 47, 1747-1762 (2007). doi:10.1021/ci700043u (Pubitemid 47561123)
    • (2007) Journal of Chemical Information and Modeling , vol.47 , Issue.5 , pp. 1747-1762
    • Sankar, P.1    Aghila, G.2
  • 12
    • 77952782464 scopus 로고    scopus 로고
    • Model tool to describe chemical structures in XML format utilizing structural fragments and chemical ontology
    • doi:10.1021/ci100052b
    • P Sankar, K Alain, G Aghila, Model Tool to Describe Chemical Structures in XML Format Utilizing Structural Fragments and Chemical Ontology. J Chem Inf Model. 50, 755-770 (2010). doi:10.1021/ci100052b
    • (2010) J Chem Inf Model , vol.50 , pp. 755-770
    • Sankar, P.1    Alain, K.2    Aghila, G.3
  • 13
    • 0000554921 scopus 로고    scopus 로고
    • Chemical markup, XML, and the world wide web. 1. Basic principles
    • P Murray-Rust, HS Rzepa, Chemical Markup, XML, and the World Wide Web. 1. Basic Principles. J Chem Inf Comput Sci. 39, 928-942 (1999)
    • (1999) J Chem Inf Comput Sci , vol.39 , pp. 928-942
    • Murray-Rust, P.1    Rzepa, H.S.2
  • 14
    • 57549105484 scopus 로고    scopus 로고
    • Chemical markup, XML and the world-wide web. 8. Polymer markup language
    • doi:10.1021/ci8002123
    • N Adams, J Winter, P Murray-Rust, HS Rzepa, Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language. J Chem Inf Model. 48, 2118-2128 (2008). doi:10.1021/ci8002123
    • (2008) J Chem Inf Model , vol.48 , pp. 2118-2128
    • Adams, N.1    Winter, J.2    Murray-Rust, P.3    Rzepa, H.S.4
  • 15
    • 84884670588 scopus 로고    scopus 로고
    • Resource Description Framework Specification. http://www.w3.org/RDF/
  • 17
    • 48249158190 scopus 로고    scopus 로고
    • Bio2RDF: Towards a mashup to build bioinformatics knowledge systems
    • doi:10.1016/j.jbi.2008.03.004
    • F Belleau, MA Nolin, N Tourigny, P Rigault, J Morissette, Bio2RDF: towards a mashup to build bioinformatics knowledge systems. J Biomed Inform. 41, 706-716 (2008). doi:10.1016/j.jbi.2008.03.004
    • (2008) J Biomed Inform , vol.41 , pp. 706-716
    • Belleau, F.1    Nolin, M.A.2    Tourigny, N.3    Rigault, P.4    Morissette, J.5
  • 18
    • 77953907294 scopus 로고    scopus 로고
    • Chem2Bio2RDF: A semantic framework for linking and data mining chemogenomic and systems chemical biology data
    • doi:10.1186/1471-2105-11-255
    • B Chen, X Dong, D Jiao, H Wang, Q Zhu, Y Ding, DJ Wild, Chem2Bio2RDF: a semantic framework for linking and data mining chemogenomic and systems chemical biology data. BMC Bioinformatics. 11, 255-267 (2010). doi:10.1186/1471-2105-11- 255
    • (2010) BMC Bioinformatics , vol.11 , pp. 255-267
    • Chen, B.1    Dong, X.2    Jiao, D.3    Wang, H.4    Zhu, Q.5    Ding, Y.6    Wild, D.J.7
  • 19
    • 84884676123 scopus 로고    scopus 로고
    • Linking Open Drug Data Project. http://esw.w3.org/HCLSIG/LODD
  • 20
    • 84884671103 scopus 로고    scopus 로고
    • Linking Open Data Initiative. http://esw.w3.org/SweoIG/TaskForces/ CommunityProjects/LinkingOpenData
  • 22
    • 84884672188 scopus 로고    scopus 로고
    • CHEMINF Ontology. http://semanticchemistry.googlecode.com/svn/trunk/ ontology/cheminf.owl
  • 23
    • 84884675784 scopus 로고    scopus 로고
    • Chemical Entity Semantic Specification. http://semanticscience.org/ projects/chess/
  • 24
    • 84884669405 scopus 로고    scopus 로고
    • Semanticscience Integrated Ontology. http://semanticscience.org
  • 25
    • 84884675398 scopus 로고    scopus 로고
    • Semantic Web Rule Language. http://www.w3.org/Submission/SWRL/
  • 26
    • 84884671569 scopus 로고    scopus 로고
    • SPARQL Query Language for RDF. http://www.w3.org/TR/rdf-sparql-query/
  • 27
    • 34547556301 scopus 로고    scopus 로고
    • LIPID MAPS online tools for lipid research
    • doi:10.1093/nar/gkm324
    • E Fahy, M Sud, D Cotter, S Subramaniam, LIPID MAPS online tools for lipid research. Nucleic Acids Res. 35, W606-612 (2007). doi:10.1093/nar/gkm324
    • (2007) Nucleic Acids Res , vol.35
    • Fahy, E.1    Sud, M.2    Cotter, D.3    Subramaniam, S.4
  • 28
    • 84884673775 scopus 로고    scopus 로고
    • BigOWLIM High-Performance Semantic Repository. http//www.ontotext. com/owlim
  • 29
    • 84884673919 scopus 로고    scopus 로고
    • FaCT++ Reasoner. http://owl.man. ac.uk/factplusplus/
  • 30
    • 77949643689 scopus 로고    scopus 로고
    • SADI SemanticWeb Services - 'cause you can't always GET what you want!
    • December 7-11, 2009; Singapore IEEE Press
    • MD Wilkinson, BP Vandervalk, EL McCarthy, SADI SemanticWeb Services - 'cause you can't always GET what you want! Asia-Pacific Services Computing Conference; December 7-11, 2009; Singapore (IEEE Press, 2009), pp. 13-18
    • (2009) Asia-Pacific Services Computing Conference , pp. 13-18
    • Wilkinson, M.D.1    Vandervalk, B.P.2    McCarthy, E.L.3
  • 32
    • 0038443475 scopus 로고    scopus 로고
    • Substructure versus whole-molecule approaches for calculating log P
    • R Mannhold, A Petrauskas, Substructure versus Whole-molecule Approaches for Calculating Log P. QSAR & Combinatorial Science. 22, 466-475 (2003). doi:10.1002/qsar.200390036 (Pubitemid 36875084)
    • (2003) QSAR and Combinatorial Science , vol.22 , Issue.4 , pp. 466-475
    • Mannhold, R.1    Petrauskas, A.2
  • 33
    • 13244266921 scopus 로고    scopus 로고
    • Lead- and drug-like compounds: The rule-of-five revolution
    • DOI 10.1016/j.ddtec.2004.11.007, PII S1740674904000551
    • CA Lipinski, Lead-and drug-like compounds: the rule-of-five revolution. Drug Discov Today: Technologies. 1, 337-341 (2004) (Pubitemid 40186335)
    • (2004) Drug Discovery Today: Technologies , vol.1 , Issue.4 , pp. 337-341
    • Lipinski, C.A.1
  • 34
    • 84884673668 scopus 로고    scopus 로고
    • Pellet OWL 2 Reasoner. http://clarkparsia.com/pellet/
  • 35
    • 84884673798 scopus 로고    scopus 로고
    • Protégé Ontology Editor. http://protege.stanford.edu/
  • 37
    • 84884674919 scopus 로고    scopus 로고
    • Web Ontology Language Specification. http://www.w3.org/TR/owl2-overview/
  • 38
    • 84884670322 scopus 로고    scopus 로고
    • Jena Semantic Web Framework http://jena.sourceforge.net/
  • 40
    • 84884670293 scopus 로고    scopus 로고
    • Open Babel Chemistry Toolbox. http://openbabel.org/wiki/Main-Page
  • 41
    • 84884670904 scopus 로고    scopus 로고
    • OpenLink Virtuoso. http://virtuoso.openlinksw.com/
  • 42
    • 34249817069 scopus 로고    scopus 로고
    • Pellet: A practical OWL-DL reasoner
    • DOI 10.1016/j.websem.2007.03.004, PII S1570826807000169, Software Engineering and the Semantic Web
    • E Sirin, B Parsia, BC Grau, A Kalyanpur, Y Katz, Pellet: A practical OWL-DL reasoner. Web Semantics. 5, 51-53 (2007). doi:10.1016/j.websem.2007.03004 (Pubitemid 46856283)
    • (2007) Web Semantics , vol.5 , Issue.2 , pp. 51-53
    • Sirin, E.1    Parsia, B.2    Grau, B.C.3    Kalyanpur, A.4    Katz, Y.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.