메뉴 건너뛰기




Volumn 49, Issue 3, 2009, Pages 531-542

Chemotypic coverage: A new basis for constructing screening sublibraries

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISTRY;

EID: 65249096124     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800250r     Document Type: Article
Times cited : (3)

References (31)
  • 2
    • 0042121318 scopus 로고    scopus 로고
    • Medicinal Chemistry of Target Family-Directed Masterkeys
    • Müller, G. Medicinal Chemistry of Target Family-Directed Masterkeys. Drug Discovery Today 2003, 8, 681-691.
    • (2003) Drug Discovery Today , vol.8 , pp. 681-691
    • Müller, G.1
  • 4
    • 0003641826 scopus 로고
    • Johnson, M. A, Maggiora, G. M, Eds, John Wiley: New York, NY
    • Concepts and Applications of Molecular Similarity; Johnson, M. A., Maggiora, G. M., Eds.; John Wiley: New York, NY, 1990.
    • (1990) Concepts and Applications of Molecular Similarity
  • 5
    • 0003989041 scopus 로고    scopus 로고
    • Kluwer Academic Publishers: Dordrecht, The Netherlands
    • Dean, P. M. Molecular Diversity in Drug Design; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1999.
    • (1999) Molecular Diversity in Drug Design
    • Dean, P.M.1
  • 6
    • 0035349270 scopus 로고    scopus 로고
    • Diverse Viewpoints on Computational Aspects of Molecular Diversity
    • Martin, Y. Diverse Viewpoints on Computational Aspects of Molecular Diversity. J. Comb. Chem. 2001, 3, 231-250.
    • (2001) J. Comb. Chem , vol.3 , pp. 231-250
    • Martin, Y.1
  • 7
    • 1542724421 scopus 로고    scopus 로고
    • Design of a Compound Screening Collection for Use in High Throughput Screening
    • Harper, G.; Pickett, S. D.; Green, D. V. S. Design of a Compound Screening Collection for Use in High Throughput Screening. Comb. Chem. High Throughput Screening 2004, 7, 63-70.
    • (2004) Comb. Chem. High Throughput Screening , vol.7 , pp. 63-70
    • Harper, G.1    Pickett, S.D.2    Green, D.V.S.3
  • 8
    • 34247257243 scopus 로고    scopus 로고
    • Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs
    • Gardner, E. J.; Gillet, V. J.; Willett, P.; Cosgrove, D. A. Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs. J. Chem. Inf. Model. 2007, 47, 354-366.
    • (2007) J. Chem. Inf. Model , vol.47 , pp. 354-366
    • Gardner, E.J.1    Gillet, V.J.2    Willett, P.3    Cosgrove, D.A.4
  • 10
    • 0033576605 scopus 로고    scopus 로고
    • The Properties of Known Drugs. 2. Side chains
    • Bemis, G. W.; Murcko, M. A. The Properties of Known Drugs. 2. Side chains. J. Med. Chem. 1999, 42, 5095-5099.
    • (1999) J. Med. Chem , vol.42 , pp. 5095-5099
    • Bemis, G.W.1    Murcko, M.A.2
  • 11
    • 0034266313 scopus 로고    scopus 로고
    • Drug-like Index: A New Approach to Measure Drug-like Compounds and Their Diversity
    • Xu, J.; Stevenson, J. Drug-like Index: A New Approach to Measure Drug-like Compounds and Their Diversity. J. Chem. Inf. Comput. Sci. 2000, 40, 1177-1187.
    • (2000) J. Chem. Inf. Comput. Sci , vol.40 , pp. 1177-1187
    • Xu, J.1    Stevenson, J.2
  • 12
    • 33745351349 scopus 로고    scopus 로고
    • A Family of Ring System-Based Structural Fragments for Use in Structure-Activity Studies: Database Mining and Recursive Partitioning
    • Nilakantan, R.; Nunn, D. S.; Greenblatt, L.; Walker, G.; Harki, K.; Mobilio, D. A Family of Ring System-Based Structural Fragments for Use in Structure-Activity Studies: Database Mining and Recursive Partitioning. J. Chem. Inf. Comput. Sci. 2006, 46, 1069-1077.
    • (2006) J. Chem. Inf. Comput. Sci , vol.46 , pp. 1069-1077
    • Nilakantan, R.1    Nunn, D.S.2    Greenblatt, L.3    Walker, G.4    Harki, K.5    Mobilio, D.6
  • 13
    • 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
  • 14
    • 0001894391 scopus 로고
    • A Ring-Based Chemical Structural Query System: Use of a Novel Ring-Complexity Heuristic
    • Nilakantan, R.; Bauman, N.; Haraki, K. S.; Venkataraghavan, R. A Ring-Based Chemical Structural Query System: Use of a Novel Ring-Complexity Heuristic. J. Med. Chem. 1990, 30, 65-68.
    • (1990) J. Med. Chem , vol.30 , pp. 65-68
    • Nilakantan, R.1    Bauman, N.2    Haraki, K.S.3    Venkataraghavan, R.4
  • 15
    • 0032008456 scopus 로고    scopus 로고
    • Cosgrove, D. A.; Willett, P. SLASH: A Program for Analyzing the Functional Groups in Molecules. J. Mol. Graphics Modell. 1998, 16, 19-32.
    • Cosgrove, D. A.; Willett, P. SLASH: A Program for Analyzing the Functional Groups in Molecules. J. Mol. Graphics Modell. 1998, 16, 19-32.
  • 17
    • 0036662353 scopus 로고    scopus 로고
    • Using Molecular Equivalence Numbers to Visually Explore Structural Features that Distinguish Chemical Librar-ies
    • Xu, X.-J.; Johnson, M. Using Molecular Equivalence Numbers to Visually Explore Structural Features that Distinguish Chemical Librar-ies. J. Chem. Inf. Comput. Sci. 2002, 42, 912-926.
    • (2002) J. Chem. Inf. Comput. Sci , vol.42 , pp. 912-926
    • Xu, X.-J.1    Johnson, M.2
  • 18
    • 65249181099 scopus 로고    scopus 로고
    • Johnson, M.; Bundy, D.; Chapman, D.; Kilkuskie, R. Michigan HTS Screening Center: Designing a Compound Library for Maximum Diversity. SBS News [Soc. Biol. Screening] 2007, 29, 3-6.
    • Johnson, M.; Bundy, D.; Chapman, D.; Kilkuskie, R. Michigan HTS Screening Center: Designing a Compound Library for Maximum Diversity. SBS News [Soc. Biol. Screening] 2007, 29, 3-6.
  • 19
    • 0038309300 scopus 로고    scopus 로고
    • High Throughput Screening Identifies Novel Inhibitors of Escherichia coli Dihydrofolate Reductase that are Competitive with Dihydrofolate
    • Zolli-Juran, M.; Cechetto, J. C.; Hartlen, R.; Daigle, D. M.; Brown, E. D. High Throughput Screening Identifies Novel Inhibitors of Escherichia coli Dihydrofolate Reductase that are Competitive with Dihydrofolate. Bioorg. Med. Chem. Lett. 2003, 13, 2493-2496.
    • (2003) Bioorg. Med. Chem. Lett , vol.13 , pp. 2493-2496
    • Zolli-Juran, M.1    Cechetto, J.C.2    Hartlen, R.3    Daigle, D.M.4    Brown, E.D.5
  • 20
    • 26944489929 scopus 로고    scopus 로고
    • McMaster University Data-Mining Competition: Computational Models on the Catwalk
    • Parker, C. McMaster University Data-Mining Competition: Computational Models on the Catwalk. J. Biomol. Screening 2005, 10, 647-648.
    • (2005) J. Biomol. Screening , vol.10 , pp. 647-648
    • Parker, C.1
  • 22
    • 0042093870 scopus 로고    scopus 로고
    • O'Neil, M. J, Heckelman, P. E, Koch, C. B, Roman, K. J, Eds, Merck & Co, Inc, Whitehouse Station, NJ
    • The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals; O'Neil, M. J., Heckelman, P. E., Koch, C. B., Roman, K. J., Eds.; Merck & Co, Inc.: Whitehouse Station, NJ, 2006.
    • (2006) The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals
  • 24
    • 0000106154 scopus 로고    scopus 로고
    • Algorithm for Naming Molecular Equivalence Classes Represented by Labeled Pseudographs
    • Xu, Y.-j.; Johnson, M. A. Algorithm for Naming Molecular Equivalence Classes Represented by Labeled Pseudographs. J. Chem. Inf. Comput. Sci. 2001, 41, 181-185.
    • (2001) J. Chem. Inf. Comput. Sci , vol.41 , pp. 181-185
    • Xu, Y.-J.1    Johnson, M.A.2
  • 26
    • 65249185255 scopus 로고    scopus 로고
    • Meqi II, version 2.31; Pannanugget Consulting: Kalamazoo, MI, 2008
    • Meqi II, version 2.31; Pannanugget Consulting: Kalamazoo, MI, 2008.
  • 27
    • 65249153796 scopus 로고    scopus 로고
    • SciTegic Pipeline Pilot, version 6.0.2.0; Accelrys, Inc, San Diego, CA, 2007
    • SciTegic Pipeline Pilot, version 6.0.2.0; Accelrys, Inc.: San Diego, CA, 2007.
  • 30
    • 0001136343 scopus 로고    scopus 로고
    • Four Association Coefficients for Relating Molecular Similarity Measures
    • Cheng, C.; Maggiora, G.; Lajiness, M.; Johnson, M. Four Association Coefficients for Relating Molecular Similarity Measures. J. Chem. Inf. Model. 1996, 36, 909-915.
    • (1996) J. Chem. Inf. Model , vol.36 , pp. 909-915
    • Cheng, C.1    Maggiora, G.2    Lajiness, M.3    Johnson, M.4
  • 31
    • 34247198331 scopus 로고    scopus 로고
    • Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space
    • Schuffenhauer, A.; Brown, N.; Ertl, P.; Jenkins, J. L.; Selzer, P.; Hamon, J. Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space. J. Chem. Inf. Model. 2007, 47, 325-336.
    • (2007) J. Chem. Inf. Model , vol.47 , pp. 325-336
    • Schuffenhauer, A.1    Brown, N.2    Ertl, P.3    Jenkins, J.L.4    Selzer, P.5    Hamon, J.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.