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Volumn 37, Issue 5, 1997, Pages 828-834

EMCSS: A new method for maximal common substructure search

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EID: 0001428106     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9601675     Document Type: Article
Times cited : (21)

References (23)
  • 1
    • 0019599369 scopus 로고
    • Use of a Maximal Common Subgraph Algorithm in the Automatic Identification of the Ostensible Bond Changes Occurring in Chemical Reactions
    • McGregor, J. J.; Willett, P. Use of a Maximal Common Subgraph Algorithm in the Automatic Identification of the Ostensible Bond Changes Occurring in Chemical Reactions. J. Chem. Inf. Comput. Sci. 1981, 21, 137-140.
    • (1981) J. Chem. Inf. Comput. Sci. , vol.21 , pp. 137-140
    • McGregor, J.J.1    Willett, P.2
  • 2
    • 1842785376 scopus 로고
    • MCSS: A New Algorithm for Perception of Maximal Common Substructures and Its Applications to NMR Spectral Studies. 2. The Applications
    • Chen, L.; Robien, W. MCSS: A New Algorithm for Perception of Maximal Common Substructures and Its Applications to NMR Spectral Studies. 2. The Applications. J. Chem. Inf. Comput. Sci. 1992, 32, 507-510.
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 507-510
    • Chen, L.1    Robien, W.2
  • 3
    • 0000253451 scopus 로고
    • Molecular Structure Comparison Program for the Identification of Maximal Common Substructures
    • Cone, M. M.; Venkataraghavan, R.; McLafferty, F. W. Molecular Structure Comparison Program for the Identification of Maximal Common Substructures. J. Am. Chem. Soc. 1977, 99, 7668-7671.
    • (1977) J. Am. Chem. Soc. , vol.99 , pp. 7668-7671
    • Cone, M.M.1    Venkataraghavan, R.2    McLafferty, F.W.3
  • 4
    • 0025002644 scopus 로고
    • Identification of Maximal Common Substructures in Structure/Activity Studies
    • Yuan, S.; Zheng, C.; Zhao, X.; Zeng, F. Identification of Maximal Common Substructures in Structure/Activity Studies. Anal. Chim. Acta. 1990, 235, 239-241.
    • (1990) Anal. Chim. Acta. , vol.235 , pp. 239-241
    • Yuan, S.1    Zheng, C.2    Zhao, X.3    Zeng, F.4
  • 5
    • 0020846484 scopus 로고
    • Computer-assisted Examination of Compounds for Common Three-Dimensional Substructures
    • Crandell, C. W.; Smith, D. H. Computer-assisted Examination of Compounds for Common Three-Dimensional Substructures. J. Chem. Inf. Comput. Sci. 1983, 23, 186-197.
    • (1983) J. Chem. Inf. Comput. Sci. , vol.23 , pp. 186-197
    • Crandell, C.W.1    Smith, D.H.2
  • 6
    • 0026145969 scopus 로고
    • Molecular Structure Matching by Simulated Annealing III. The Incorporation of Null Correspondences into the Matching Problem
    • Barakat, M. T.; Dean, P. M. Molecular Structure Matching by Simulated Annealing III. The Incorporation of Null Correspondences into the Matching Problem. J. Comput.-Aided Mol. Design 1991, 5, 107-117.
    • (1991) J. Comput.-Aided Mol. Design , vol.5 , pp. 107-117
    • Barakat, M.T.1    Dean, P.M.2
  • 7
    • 33751392562 scopus 로고
    • Molecular Substructure Similarity Searching: Efficient Retrieval in Two-Dimensional Structure Databases
    • Hagadone, T. R. Molecular Substructure Similarity Searching: Efficient Retrieval in Two-Dimensional Structure Databases. J. Chem. Inf. Comput. Sci. 1992, 32, 515-521.
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 515-521
    • Hagadone, T.R.1
  • 9
    • 0027548454 scopus 로고
    • A Fast New Approach to Pharmacophore Mapping and Its Application to Dopaminergic and Benzodiazepine Agonists
    • Martin, Y. C.; Bures, M. G.; Danaher, E. A.; Delazzer, J., Lico, I.; Pavlik, P. A. A Fast New Approach to Pharmacophore Mapping and Its Application to Dopaminergic and Benzodiazepine Agonists. J. Comput.-Aided Mol. Design 1993, 7, 83-102.
    • (1993) J. Comput.-Aided Mol. Design , vol.7 , pp. 83-102
    • Martin, Y.C.1    Bures, M.G.2    Danaher, E.A.3    Delazzer, J.4    Lico, I.5    Pavlik, P.A.6
  • 10
    • 0028192745 scopus 로고
    • New Molecular Modelling Tools Using Three-dimensional Chemical Substructures
    • Bures, M. G.; Danaher, E.; Delazzer, J.; Martin, Y. C. New Molecular Modelling Tools Using Three-dimensional Chemical Substructures. J. Chem. Inf. Comput. Sci. 1994, 34, 218-223.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 218-223
    • Bures, M.G.1    Danaher, E.2    Delazzer, J.3    Martin, Y.C.4
  • 11
    • 51249191195 scopus 로고
    • A Note on the Derivation of Maximal Common Subgraphs of Two Directed or Undirected Graphs
    • Levi, G. A Note on the Derivation of Maximal Common Subgraphs of Two Directed or Undirected Graphs. Calcolo 1972, 9, 341-352.
    • (1972) Calcolo , vol.9 , pp. 341-352
    • Levi, G.1
  • 12
    • 0019909679 scopus 로고
    • Backtrack Search Algorithms and the Maximal Common Subgraph Problem
    • McGregor, J. J. Backtrack Search Algorithms and the Maximal Common Subgraph Problem. Software-Pract. Exper. 1982, 12, 23-34.
    • (1982) Software-Pract. Exper. , vol.12 , pp. 23-34
    • McGregor, J.J.1
  • 14
    • 0000860761 scopus 로고
    • MCSS: A New Algorithm for Perception of Maximal Common Substructures and Its Applications to NMR Spectral Studies. 1. The Algorithm
    • Chen, L.; Robien, W. MCSS: A New Algorithm for Perception of Maximal Common Substructures and Its Applications to NMR Spectral Studies. 1. The Algorithm. J. Chem. Inf. Comput. Sci. 1992, 32, 501-506.
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 501-506
    • Chen, L.1    Robien, W.2
  • 15
    • 0002686372 scopus 로고
    • A Hyperstructure Model for Chemical Structure Handling: Generation and Atom-by-Atom Searching of Hyperstructures
    • Brown, R. D.; Downs, G. M.; Willett, P.; Cook, A. P. F. A Hyperstructure Model for Chemical Structure Handling: Generation and Atom-by-Atom Searching of Hyperstructures. J. Chem. Inf. Comput. Sci. 1992, 32, 522-531.
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 522-531
    • Brown, R.D.1    Downs, G.M.2    Willett, P.3    Cook, A.P.F.4
  • 16
    • 0028317796 scopus 로고
    • Matching Two-Dimensional Chemical Graphs Using Genetic Algorithms
    • Brown, R. D.; Jones, G.; Willett, P. Matching Two-Dimensional Chemical Graphs Using Genetic Algorithms. J. Chem. Inf. Comput. Sci. 1994, 34, 63-70.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 63-70
    • Brown, R.D.1    Jones, G.2    Willett, P.3
  • 17
    • 0001970497 scopus 로고    scopus 로고
    • GMA: A Generic Match Algorithm for Structural Homomorphism, Isomorphism, and Maximal Common Substructure Match and Its Applications
    • Xu, J. GMA: A Generic Match Algorithm for Structural Homomorphism, Isomorphism, and Maximal Common Substructure Match and Its Applications. J. Chem. Inf. Comput. Sci. 1996, 36, 25-34.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 25-34
    • Xu, J.1
  • 18
    • 0016870630 scopus 로고
    • An Algorithm for Subgraph Isomorphism
    • Ullmann, J. R. An Algorithm for Subgraph Isomorphism. J. Assoc. Comput. Mach. 1976, 23, 31-42.
    • (1976) J. Assoc. Comput. Mach. , vol.23 , pp. 31-42
    • Ullmann, J.R.1
  • 19
    • 0028046665 scopus 로고
    • Variable Selection in QSAR Studies. 1. An Evolutionary Algorithm
    • Kubinyi, H. Variable Selection in QSAR Studies. 1. An Evolutionary Algorithm. Quant. Struct.-Act. Relat. 1994, 13, 285-294.
    • (1994) Quant. Struct.-Act. Relat. , vol.13 , pp. 285-294
    • Kubinyi, H.1
  • 20
    • 0027148117 scopus 로고
    • Applying Evolutionary Programming to Selected Traveling Salesman Problems
    • Fogel, D. B. Applying Evolutionary Programming to Selected Traveling Salesman Problems. Cybern. Syst. (USA) 1993, 24, 27-36.
    • (1993) Cybern. Syst. (USA) , vol.24 , pp. 27-36
    • Fogel, D.B.1
  • 21
    • 0027640931 scopus 로고
    • Genetic Algorithms: Principles of natural selection applied to computation
    • Forrest, S. Genetic Algorithms: principles of natural selection applied to computation. Science 1993, 261, 872-878.
    • (1993) Science , vol.261 , pp. 872-878
    • Forrest, S.1
  • 22
    • 0013143766 scopus 로고
    • Joint Compound/Reaction Storage and Retrieval and Possibilities of a Hyperstructure-Based Solution
    • Warr, W. E., Ed.; Springer Verlag: Berlin
    • Vladutz, G.; Gould, S. R. Joint Compound/Reaction Storage and Retrieval and Possibilities of a Hyperstructure-Based Solution. In Chemical Structures. The International Language of Chemistry; Warr, W. E., Ed.; Springer Verlag: Berlin, 1988; pp 371-384.
    • (1988) Chemical Structures. The International Language of Chemistry , pp. 371-384
    • Vladutz, G.1    Gould, S.R.2
  • 23
    • 0006052637 scopus 로고
    • CLUSMOL: A System for the Condeptual Clustering of Molecules
    • Okada, T.; Wipke, W. T. CLUSMOL: a System for the Condeptual Clustering of Molecules. Tetrahedron Comput. Methodol. 1989, 2, 249-264.
    • (1989) Tetrahedron Comput. Methodol. , vol.2 , pp. 249-264
    • Okada, T.1    Wipke, W.T.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.