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Volumn 41, Issue 2, 2001, Pages 430-438

Exploring chemical rings in a simple topological-descriptor space

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EID: 0035272185     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci000144x     Document Type: Article
Times cited : (27)

References (12)
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    • (1996) The Practice of Medicinal Chemistry , pp. 239-260
    • Wermuth, C.G.1
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    • 0029894013 scopus 로고    scopus 로고
    • The properties of known drugs. 1. Molecular frameworks
    • Bemis, G. W.; Murcko, M. A. The Properties of Known Drugs. 1. Molecular Frameworks. J. Med. Chem. 1996, 39, 2887-2893.
    • (1996) J. Med. Chem. , vol.39 , pp. 2887-2893
    • Bemis, G.W.1    Murcko, M.A.2
  • 3
    • 0031226661 scopus 로고    scopus 로고
    • Database diversity assessment: New ideas, concepts, and tools
    • Nilakantan, R.; Bauman, N.; Haraki, K. S. Database Diversity Assessment: New Ideas, Concepts, and Tools. J. Comput.-Aided Mol. Des. 1997, 11, 447-452.
    • (1997) J. Comput.-Aided Mol. Des. , vol.11 , pp. 447-452
    • Nilakantan, R.1    Bauman, N.2    Haraki, K.S.3
  • 4
    • 0000332594 scopus 로고    scopus 로고
    • Mining a large database for peptidomimetic ring structures using a topological index
    • Lipkus, A. H. Mining a Large Database for Peptidomimetic Ring Structures Using a Topological Index. J. Chem. Inf. Comput. Sci. 1999, 39, 582-586.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 582-586
    • Lipkus, A.H.1
  • 6
    • 84984062485 scopus 로고
    • Algebraic characterization of bridged polycyclic compounds
    • Mekenyan, O.; Bonchev, D.; Trinajstić, N. Algebraic Characterization of Bridged Polycyclic Compounds. Int. J. Quantum Chem. 1981, 19, 929-955.
    • (1981) Int. J. Quantum Chem. , vol.19 , pp. 929-955
    • Mekenyan, O.1    Bonchev, D.2    Trinajstić, N.3
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    • 84987102119 scopus 로고
    • Molecular cyclicity and centricity of polycyclic graphs. I. Cyclicity based on resistance distances or reciprocal distances
    • Bonchev, D.; Balaban, A. T.; Liu, X.; Klein, D. J. Molecular Cyclicity and Centricity of Polycyclic Graphs. I. Cyclicity Based on Resistance Distances or Reciprocal Distances. Int. J. Quantum Chem. 1994, 50, 1-20.
    • (1994) Int. J. Quantum Chem. , vol.50 , pp. 1-20
    • Bonchev, D.1    Balaban, A.T.2    Liu, X.3    Klein, D.J.4
  • 10
    • 0038354182 scopus 로고    scopus 로고
    • A ring-imbedding index and its use in substructure searching
    • Lipkus, A. H. A Ring-Imbedding Index and Its Use in Substructure Searching. J. Chem. Inf. Comput. Sci. 1997, 37, 92-97.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 92-97
    • Lipkus, A.H.1
  • 11
    • 0000172629 scopus 로고    scopus 로고
    • On characterization of cyclic structures
    • Randić, M. On Characterization of Cyclic Structures. J. Chem. Inf. Comput. Sci. 1997, 37, 1063-1071.
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    • Randić, M.1
  • 12
    • 17744377195 scopus 로고    scopus 로고
    • Identifying and filling holes in diversity space
    • Arlington, VA, May
    • Wife, R. L. Identifying and Filling Holes in Diversity Space. Presented at the CHI meeting on Chemoinformatics, Arlington, VA, May 1997.
    • (1997) CHI Meeting on Chemoinformatics
    • Wife, R.L.1


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