메뉴 건너뛰기




Volumn 4, Issue 8, 2012, Pages

The semantics of Chemical Markup Language (CML) for computational chemistry: CompChem

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84867447826     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/1758-2946-4-15     Document Type: Article
Times cited : (29)

References (41)
  • 8
    • 0035470282 scopus 로고    scopus 로고
    • Chemical markup, XML and the world-wide web. 2. Information objects and the CMLDOM
    • Murray-Rust P, Rzepa HS: Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM. J Chem Inf Comput Sci 2001, 41(5):1113-1123.
    • (2001) J Chem Inf Comput Sci , vol.41 , Issue.5 , pp. 1113-1123
    • Murray-Rust, P.1    Rzepa, H.S.2
  • 9
    • 0035470297 scopus 로고    scopus 로고
    • Chemical markup, XML, and the world-wide web. 3. Toward a signed semantic chemical web of trust
    • Gkoutos GV, Murray-Rust P, Rzepa HS, Wright M: Chemical Markup, XML, and the World-Wide Web. 3. Toward a Signed Semantic Chemical Web of Trust. J Chem Inf Comput Sci 2001, 41(5):1124-1130.
    • (2001) J Chem Inf Comput Sci , vol.41 , Issue.5 , pp. 1124-1130
    • Gkoutos, G.V.1    Murray-Rust, P.2    Rzepa, H.S.3    Wright, M.4
  • 10
    • 0038512091 scopus 로고    scopus 로고
    • Chemical markup, XML, and the world wide web. 4. CML Schema
    • Murray-Rust P, Rzepa HS: Chemical Markup, XML, and the World Wide Web. 4. CML Schema. J Chem Inf Comput Sci 2003, 43(3):757-772.
    • (2003) J Chem Inf Comput Sci , vol.43 , Issue.3 , pp. 757-772
    • Murray-Rust, P.1    Rzepa, H.S.2
  • 14
    • 84884673438 scopus 로고    scopus 로고
    • Online; accessed 20-December-2011
    • CMLXOM. [Online; accessed 20-December-2011]. [https://bitbucket.org/wwmm/ cmlxom/]
  • 15
    • 84884672647 scopus 로고    scopus 로고
    • Online; accessed 20-December-2011
    • Jumbo6. [Online; accessed 20-December-2011]. [https://bitbucket.org/wwmm/ jumbo6/]
  • 16
    • 84884670006 scopus 로고    scopus 로고
    • Online; accessed 20-December-2011
    • JUMBO-Converters. [Online; accessed 20-December-2011]. [https://bitbucket.org/wwmm/jumbo-converters/]
  • 17
    • 84884669625 scopus 로고    scopus 로고
    • Online; accessed 20-December-2011
    • CMLValidator service. [Online; accessed 20-December-2011]. [http://validator.xml-cml.org/]
  • 19
    • 41249091782 scopus 로고    scopus 로고
    • Pybel: A python wrapper for the OpenBabel cheminformatics toolkit
    • O'Boyle N, Morley C, Hutchison G: Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit. Chem Cent J 2008, 2:5. [http://journal. chemistrycentral.com/content/2/1/5]
    • (2008) Chem Cent J , vol.2 , pp. 5
    • O'Boyle, N.1    Morley, C.2    Hutchison, G.3
  • 20
    • 84884673119 scopus 로고    scopus 로고
    • Online; accessed 24-October-2011
    • Jmol: an open-source Java viewer for chemical structures in 3D. [Online; accessed 24-October-2011]. [http://www.jmol.org/]
  • 23
    • 84884670881 scopus 로고    scopus 로고
    • Online; accessed 21-December-2011
    • w3schools: Introduction to XML Schema. [Online; accessed 21-December-2011]. [http://www.w3schools.com/schema/schemaintro.asp]
  • 25
    • 33244487238 scopus 로고    scopus 로고
    • Chemical markup, XML, and the world wide web. 6. CMLReact, an XML vocabulary for chemical reactions
    • DOI 10.1021/ci0502698
    • Holliday GL, Murray-Rust P, Rzepa HS: Chemical Markup, XML, and the World Wide Web. 6. CML-React, an XML Vocabulary for Chemical Reactions. J Chem Inf Model 2006, 46:145-157. (Pubitemid 43282110)
    • (2006) Journal of Chemical Information and Modeling , vol.46 , Issue.1 , pp. 145-157
    • Holliday, G.L.1    Murray-Rust, P.2    Rzepa, H.S.3
  • 28
    • 57549105484 scopus 로고    scopus 로고
    • Chemical markup, XML and the world-wide web. 8. Polymer markup language
    • Adams N, Winter J, Murray-Rust P, Rzepa HS: Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language. J Chem Inf Model 2008, 48(11):2118-2128. [http://pubs.acs.org/doi/abs/10.1021/ci8002123]
    • (2008) J Chem Inf Model , vol.48 , Issue.11 , pp. 2118-2128
    • Adams, N.1    Winter, J.2    Murray-Rust, P.3    Rzepa, H.S.4
  • 30
    • 78650879002 scopus 로고    scopus 로고
    • First-principles thermochemistry for the combustion of in a methane flame
    • Totton TS, Shirley R, Kraft M: First-principles thermochemistry for the combustion of in a methane flame. Proc Combust Inst 2011, 33:493-500.
    • (2011) Proc Combust Inst , vol.33 , pp. 493-500
    • Totton, T.S.1    Shirley, R.2    Kraft, M.3
  • 32
    • 72449196679 scopus 로고    scopus 로고
    • First-principles thermochemistry for the combustion of a TiCl4 and AlCl3 mixture
    • Shirley R, Liu Y, Totton TS, West RH, Kraft M: First-Principles Thermochemistry for the Combustion of a TiCl4 and AlCl3 Mixture. J Phys Chem A 2009, 113(49):13790-13796.
    • (2009) J Phys Chem A , vol.113 , Issue.49 , pp. 13790-13796
    • Shirley, R.1    Liu, Y.2    Totton, T.S.3    West, R.H.4    Kraft, M.5
  • 33
    • 78049523630 scopus 로고    scopus 로고
    • First-principles thermochemistry for gas phase species in an industrial rutile chlorinator
    • Shirley R, Phadungsukanan W, Kraft M, Downing J, Day NE, Murray-Rust P: First-Principles Thermochemistry for Gas Phase Species in an Industrial Rutile Chlorinator. J Phys Chem A 2010, 114(43):11825-11832. [http://pubs.acs.org/doi/ abs/10.1021/jp106795p]
    • (2010) J Phys Chem A , vol.114 , Issue.43 , pp. 11825-11832
    • Shirley, R.1    Phadungsukanan, W.2    Kraft, M.3    Downing, J.4    Day, N.E.5    Murray-Rust, P.6
  • 34
    • 68149132949 scopus 로고    scopus 로고
    • First-principles thermochemistry for silicon species in the decomposition of tetraethoxysilane
    • Phadungsukanan W, Shekar S, Shirley R, Sander M, West RH, Kraft M: First-Principles Thermochemistry for Silicon Species in the Decomposition of Tetraethoxysilane. J Phys Chem A 2009, 113(31):9041-9049.
    • (2009) J Phys Chem A , vol.113 , Issue.31 , pp. 9041-9049
    • Phadungsukanan, W.1    Shekar, S.2    Shirley, R.3    Sander, M.4    West, R.H.5    Kraft, M.6
  • 39
    • 84884670069 scopus 로고    scopus 로고
    • Online; accessed 6-February-2012
    • OWL 2 Web Ontology Language., 2009. [Online; accessed 6-February-2012]. [http://www.w3.org/TR/owl2-overview/]
    • (2009)
  • 40
    • 84884674565 scopus 로고    scopus 로고
    • Online; accessed 11-May-2012
    • OpenRDF - Aduna Software. [Online; accessed 11-May-2012]. [http://www.openrdf.org/]


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.