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Volumn 27, Issue 4, 1987, Pages 152-158

Algorithms for the Identification of Three-Dimensional Maximal Common Substructures

Author keywords

[No Author keywords available]

Indexed keywords

DRUG PRODUCTS - RESEARCH; INFORMATION RETRIEVAL SYSTEMS - ONLINE SEARCHING; INFORMATION SCIENCE - INFORMATION RETRIEVAL;

EID: 0023456962     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci00056a002     Document Type: Article
Times cited : (134)

References (27)
  • 1
    • 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
  • 2
    • 0017098490 scopus 로고
    • Pattern Recognition. Classification of Therapeutic Agents According to Pharmacophores
    • Cammarata, A.; Menon, G.K. “Pattern Recognition. Classification of Therapeutic Agents According to Pharmacophores”. J. Med. Chem. 1976, 19, 739–748
    • (1976) J. Med. Chem. , vol.19 , pp. 739-748
    • Cammarata, A.1    Menon, G.K.2
  • 3
    • 0021986554 scopus 로고
    • Topological Pharmacophores. New Methods and Their Application to a Set of Antimalarials. Part 1: The Methods LOGANA and LOCON
    • Streich, W.J.; Franke, R. “Topological Pharmacophores. New Methods and Their Application to a Set of Antimalarials. Part 1: The Methods LOGANA and LOCON”. Quant. Struct.-Act. Relat. 1985, 4, 13–18
    • (1985) Quant. Struct.-Act. Relat. , vol.4 , pp. 13-18
    • Streich, W.J.1    Franke, R.2
  • 4
    • 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
  • 6
    • 84988104084 scopus 로고
    • A Method for the Machine Detection of Near Equivalence of Major Substructures in a Molecule
    • Bersohn, M.; Fujiwara, S.; Fujiwara, Y. “A Method for the Machine Detection of Near Equivalence of Major Substructures in a Molecule”. J. Comput. Chem. 1986, 7, 129–139
    • (1986) J. Comput. Chem. , vol.7 , pp. 129-139
    • Bersohn, M.1    Fujiwara, S.2    Fujiwara, Y.3
  • 8
    • 0001462919 scopus 로고
    • Three-Dimensional Pharmacophoric Pattern Searching
    • Gund, P. “Three-Dimensional Pharmacophoric Pattern Searching”. Prog. Mol. Subcell. Biol. 1977, 5, 117–143
    • (1977) Prog. Mol. Subcell. Biol. , vol.5 , pp. 117-143
    • Gund, P.1
  • 9
    • 0001507789 scopus 로고
    • Pharmacophoric Pattern Searching and Receptor Mapping
    • Gund, P. “Pharmacophoric Pattern Searching and Receptor Mapping”. Annu. Rep. Med. Chem. 1979, 14, 299–308
    • (1979) Annu. Rep. Med. Chem. , vol.14 , pp. 299-308
    • Gund, P.1
  • 10
    • 0343068381 scopus 로고
    • Pharmacophoric Pattern Matching in Files of 3-D Chemical Structures: Selection of Interatomic Distance Screens
    • Jakes, S.E.; Willett, P. “Pharmacophoric Pattern Matching in Files of 3-D Chemical Structures: Selection of Interatomic Distance Screens”. J. Mol. Graphics 1986, 4, 12–20
    • (1986) J. Mol. Graphics , vol.4 , pp. 12-20
    • Jakes, S.E.1    Willett, P.2
  • 11
    • 45949125329 scopus 로고
    • Pharmacophoric Pattern Matching in Files of 3-D Chemical Structures: Evaluation of Search Performance
    • Jakes, S.E.; Watts, N.; Willett, P.; Bawden, D.,; Fisher, J.D. “Pharmacophoric Pattern Matching in Files of 3-D Chemical Structures: Evaluation of Search Performance”. J. Mol. Graphics 1987, 5, 41–48
    • (1987) J. Mol. Graphics , vol.5 , pp. 41-48
    • Jakes, S.E.1    Watts, N.2    Willett, P.3    Bawden, D.4    Fisher, J.D.5
  • 12
    • 0002639390 scopus 로고
    • Pharmacophoric Pattern Matching in Files of 3-D Chemical Structures: Comparison of Geometric Searching Algorithms
    • Brint, A.T.; Willett, P. “Pharmacophoric Pattern Matching in Files of 3-D Chemical Structures: Comparison of Geometric Searching Algorithms”. J. Mol. Graphics 1987, 5, 49–56
    • (1987) J. Mol. Graphics , vol.5 , pp. 49-56
    • Brint, A.T.1    Willett, P.2
  • 13
    • 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
  • 14
    • 3142669879 scopus 로고
    • Subgraph Isomorphism, Matching Relational Structures and Maximal Cliques
    • Barrow, H.G.; Burstall, R.M. “Subgraph Isomorphism, Matching Relational Structures and Maximal Cliques”. Inf. Proc. Lett. 1976, 4, 83–84
    • (1976) Inf. Proc. Lett. , vol.4 , pp. 83-84
    • Barrow, H.G.1    Burstall, R.M.2
  • 15
  • 20
    • 84976668743 scopus 로고
    • Algorithm 457. Finding All Cliques of an Undirected Graph
    • Bron, C.; Kerbosch, J. “Algorithm 457. Finding All Cliques of an Undirected Graph”. Commun. ACM 1973, 16, 575–577
    • (1973) Commun. ACM , vol.16 , pp. 575-577
    • Bron, C.1    Kerbosch, J.2
  • 23
    • 0020564766 scopus 로고
    • A New Backtracking Algorithm for Generating the Family of Maximal Independent Sets of a Graph
    • Loukakis, E. “A New Backtracking Algorithm for Generating the Family of Maximal Independent Sets of a Graph”. Comput. Math. Appl. 1983, 9, 83–589
    • (1983) Comput. Math. Appl. , vol.9 , pp. 83-589
    • Loukakis, E.1
  • 25
    • 0018455122 scopus 로고
    • Detection of 3-D Patterns of Atoms in Chemical Structures
    • Lesk, A.M. “Detection of 3-D Patterns of Atoms in Chemical Structures”. Commun. ACM 1979, 22, 219–224
    • (1979) Commun. ACM , vol.22 , pp. 219-224
    • Lesk, A.M.1
  • 26
    • 0020445367 scopus 로고
    • Quantitative Drug Design Studies. V. Approach to Lead Generation by Pharmacophoric Pattern Searching
    • Esaki, T. “Quantitative Drug Design Studies. V. Approach to Lead Generation by Pharmacophoric Pattern Searching”. Chem. Pharm. Bull. 1982, 30, 3657–3661
    • (1982) Chem. Pharm. Bull. , vol.30 , pp. 3657-3661
    • Esaki, T.1
  • 27
    • 84988128979 scopus 로고
    • Geometrically Feasible Binding Modes of a Flexible Ligand Molecule at the Receptor Site
    • Ghose, A.K.; Crippen, G.M. “Geometrically Feasible Binding Modes of a Flexible Ligand Molecule at the Receptor Site”. J. Comput. Chem. 1986, 6, 350–359
    • (1986) J. Comput. Chem. , vol.6 , pp. 350-359
    • Ghose, A.K.1    Crippen, G.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.