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Volumn 26 IV, Issue , 2004, Pages 3011-3014

Knowledge-based algorithms for chemical structure and property analysis

Author keywords

Computational Chemistry; Drug design; Molecular databases

Indexed keywords

ALGORITHMS; AUTOMATION; COMPUTATIONAL METHODS; COMPUTER PROGRAMMING; COMPUTER PROGRAMMING LANGUAGES; DATABASE SYSTEMS; KNOWLEDGE BASED SYSTEMS; PROTEINS;

EID: 11144284714     PISSN: 05891019     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper
Times cited : (7)

References (20)
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  • 3
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    • CambridgeSoft Corporation
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    • 0034351495 scopus 로고    scopus 로고
    • Effectiveness of retrieval in similarity searches of chemical databases: A review of performance measures
    • S. Edgar, J.D. Holliday, and P. Willett, "Effectiveness of Retrieval in Similarity Searches of Chemical Databases: A Review of Performance Measures," Journal of Molecular Graphics and Modelling, vol. 18, pp. 343-357, 2000.
    • (2000) Journal of Molecular Graphics and Modelling , vol.18 , pp. 343-357
    • Edgar, S.1    Holliday, J.D.2    Willett, P.3
  • 6
    • 33751392562 scopus 로고
    • Molecular substructure similarity searching: Efficient retrieval in two-dimensional structure databases
    • T.R. Hagadone, "Molecular Substructure Similarity Searching: Efficient Retrieval in Two-Dimensional Structure Databases," Journal of Chemical Information and Computer Sciences, vol. 32, pp. 515-521, 1992.
    • (1992) Journal of Chemical Information and Computer Sciences , vol.32 , pp. 515-521
    • Hagadone, T.R.1
  • 7
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    • Similarity searching and clustering of chemical structure databases using molecular property data
    • G.M. Downs, P. Willett, and W. Fisanick, "Similarity Searching and Clustering of Chemical Structure Databases Using Molecular Property Data," Journal of Chemical Information and Computer Sciences, vol. 34, pp. 1094-1102, 1994.
    • (1994) Journal of Chemical Information and Computer Sciences , vol.34 , pp. 1094-1102
    • Downs, G.M.1    Willett, P.2    Fisanick, W.3
  • 11
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    • Problems of substructure search and their solution
    • W.A. Warr Ed Berlin: Springer-Verlag
    • J.M. Barnard, "Problems of Substructure Search and Their Solution," in Chemical Structures. The International Language of Chemistry., W.A. Warr Ed Berlin: Springer-Verlag, 1988, pp. 113-126.
    • (1988) Chemical Structures. the International Language of Chemistry , pp. 113-126
    • Barnard, J.M.1
  • 12
    • 0034778812 scopus 로고    scopus 로고
    • Issues in representation of molecular structure: The development of molecular connectivity
    • H. Lowell, L.H. Hall, and L.B. Kier, "Issues in Representation of Molecular Structure: The Development of Molecular Connectivity," Journal of Molecular Graphics and Modeling, vol. 20, pp. 4-18, 2001.
    • (2001) Journal of Molecular Graphics and Modeling , vol.20 , pp. 4-18
    • Lowell, H.1    Hall, L.H.2    Kier, L.B.3
  • 14
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    • The characterization of chemical structures using molecular properties. A survey
    • D.J. Livingstone, "The Characterization of Chemical Structures Using Molecular Properties. A Survey," Journal of Molecular Graphics and Modelling, vol. 40, pp. 195-209, 2000.
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    • Livingstone, D.J.1
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  • 18
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    • Modification of parameters of the charge equilibrium scheme to achieve better correlation with experimental dipole moments
    • P. Bagossi, J. Tozser, I.T. Weber, and R.W. Harrison, "Modification of parameters of the charge equilibrium scheme to achieve better correlation with experimental dipole moments," J. Mol. Model., vol. 5,pp. 143-152, 1998.
    • (1998) J. Mol. Model , vol.5 , pp. 143-152
    • Bagossi, P.1    Tozser, J.2    Weber, I.T.3    Harrison, R.W.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.