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Volumn , Issue 35, 2008, Pages 5995-6007

Construction of a statistical evaluation model based on molecular centrality to find retrosynthetically important bonds in organic compounds

Author keywords

Bond centrality; Bond dissociation energy; Molecular centrality; Molecular complexity; Retrosynthesis; Synthesis design

Indexed keywords


EID: 56749146247     PISSN: 1434193X     EISSN: 10990690     Source Type: Journal    
DOI: 10.1002/ejoc.200800392     Document Type: Article
Times cited : (1)

References (46)
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    • Ed, J. Gasteiger, Wiley-VCH, Weinheim
    • b) R. Baron, M. Chanon, Handbook of Chemoinformatics (Ed.: J. Gasteiger), Wiley-VCH, Weinheim, 2003, vol. 4, pp. 1428-1456;
    • (2003) Handbook of Chemoinformatics , vol.4 , pp. 1428-1456
    • Baron, R.1    Chanon, M.2
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    • 56749094804 scopus 로고    scopus 로고
    • NCC is the number of chiral center atoms in a bond, in the atom block formatted by the SDFile converted from ISIS reaction databases
    • NCC is the number of chiral center atoms in a bond. The chiral information was obtained from chiral flags, 1 or 2, in the atom block formatted by the SDFile converted from ISIS reaction databases.
    • The chiral information was obtained from chiral flags, 1 or , vol.2
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    • 56749133820 scopus 로고    scopus 로고
    • SPSS was used for analyses
    • a) SPSS was used for analyses: http://www.spss.com;
  • 27
    • 56749135931 scopus 로고    scopus 로고
    • the sigmoidal curve of Equation (6) is as follows:
    • c) the sigmoidal curve of Equation (6) is as follows:
  • 34
    • 56749129785 scopus 로고    scopus 로고
    • ORGSYN contains new general synthetic methods and proven compound preparations: http://www.orgsyn.org/. The source is Organic Syntheses, 1980-present, published by Wiley.
    • ORGSYN contains new general synthetic methods and proven compound preparations: http://www.orgsyn.org/. The source is Organic Syntheses, 1980-present, published by Wiley.
  • 35
    • 56749127644 scopus 로고    scopus 로고
    • Current Chemical Reactions covers the latest synthetic methods reported in the world's leading organic chemistry journals, providing access to over 400000 reactions: http://scientific.thomson.com/products/ccr/.
    • Current Chemical Reactions covers the latest synthetic methods reported in the world's leading organic chemistry journals, providing access to over 400000 reactions: http://scientific.thomson.com/products/ccr/.
  • 36
    • 56749145701 scopus 로고    scopus 로고
    • The Reference Library of Synthetic Methodology database contains a broad collection of novel methods for organic synthesis, abstracted in the chemical literature from 1900 to 1991
    • The Reference Library of Synthetic Methodology database contains a broad collection of novel methods for organic synthesis, abstracted in the chemical literature from 1900 to 1991: http://www.mdl.com/products/knowledge/ reflib_synthetic_meth/.
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    • 33845808396 scopus 로고    scopus 로고
    • is opened through the Internet
    • c) The PETRA program package is opened through the Internet: http://www2.ccc.uni-erlangen.de/software/petra/.
    • The PETRA program package


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.