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Journal Abstract Search

319 related items for PubMed ID: 12767158

  • 1. Molecular shape diversity of combinatorial libraries: a prerequisite for broad bioactivity.
    Sauer WH, Schwarz MK.
    J Chem Inf Comput Sci; 2003; 43(3):987-1003. PubMed ID: 12767158
    [Abstract] [Full Text] [Related]

  • 2. Assessing the scaffold diversity of screening libraries.
    Krier M, Bret G, Rognan D.
    J Chem Inf Model; 2006; 46(2):512-24. PubMed ID: 16562979
    [Abstract] [Full Text] [Related]

  • 3. The hidden component of size in two-dimensional fragment descriptors: side effects on sampling in bioactive libraries.
    Dixon SL, Koehler RT.
    J Med Chem; 1999 Jul 29; 42(15):2887-900. PubMed ID: 10425098
    [Abstract] [Full Text] [Related]

  • 4. Expanding the medicinally relevant chemical space with compound libraries.
    López-Vallejo F, Giulianotti MA, Houghten RA, Medina-Franco JL.
    Drug Discov Today; 2012 Jul 29; 17(13-14):718-26. PubMed ID: 22515962
    [Abstract] [Full Text] [Related]

  • 5. A similarity-based data-fusion approach to the visual characterization and comparison of compound databases.
    Medina-Franco JL, Maggiora GM, Giulianotti MA, Pinilla C, Houghten RA.
    Chem Biol Drug Des; 2007 Nov 29; 70(5):393-412. PubMed ID: 17927720
    [Abstract] [Full Text] [Related]

  • 6. Cheminformatics approaches to analyze diversity in compound screening libraries.
    Akella LB, DeCaprio D.
    Curr Opin Chem Biol; 2010 Jun 29; 14(3):325-30. PubMed ID: 20457001
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  • 7. "In-house likeness": comparison of large compound collections using artificial neural networks.
    Muresan S, Sadowski J.
    J Chem Inf Model; 2005 Jun 29; 45(4):888-93. PubMed ID: 16045282
    [Abstract] [Full Text] [Related]

  • 8. Deriving knowledge through data mining high-throughput screening data.
    Diller DJ, Hobbs DW.
    J Med Chem; 2004 Dec 02; 47(25):6373-83. PubMed ID: 15566306
    [Abstract] [Full Text] [Related]

  • 9. Assessment of additive/nonadditive effects in structure-activity relationships: implications for iterative drug design.
    Patel Y, Gillet VJ, Howe T, Pastor J, Oyarzabal J, Willett P.
    J Med Chem; 2008 Dec 11; 51(23):7552-62. PubMed ID: 19012393
    [Abstract] [Full Text] [Related]

  • 10. Data structures and computational tools for the extraction of SAR information from large compound sets.
    Wawer M, Lounkine E, Wassermann AM, Bajorath J.
    Drug Discov Today; 2010 Aug 11; 15(15-16):630-9. PubMed ID: 20547243
    [Abstract] [Full Text] [Related]

  • 11. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
    Koutsoukas A, Paricharak S, Galloway WR, Spring DR, Ijzerman AP, Glen RC, Marcus D, Bender A.
    J Chem Inf Model; 2014 Jan 27; 54(1):230-42. PubMed ID: 24289493
    [Abstract] [Full Text] [Related]

  • 12. Adaptive combinatorial design of focused compound libraries.
    Schneider G, Schüller A.
    Methods Mol Biol; 2009 Jan 27; 572():135-47. PubMed ID: 20694689
    [Abstract] [Full Text] [Related]

  • 13. Quality control in combinatorial chemistry: determination of the quantity, purity, and quantitative purity of compounds in combinatorial libraries.
    Yan B, Fang L, Irving M, Zhang S, Boldi AM, Woolard F, Johnson CR, Kshirsagar T, Figliozzi GM, Krueger CA, Collins N.
    J Comb Chem; 2003 Jan 27; 5(5):547-59. PubMed ID: 12959555
    [Abstract] [Full Text] [Related]

  • 14. Flexible 3D pharmacophores as descriptors of dynamic biological space.
    Nettles JH, Jenkins JL, Williams C, Clark AM, Bender A, Deng Z, Davies JW, Glick M.
    J Mol Graph Model; 2007 Oct 27; 26(3):622-33. PubMed ID: 17395510
    [Abstract] [Full Text] [Related]

  • 15. Survey of the diversity space coverage of reported combinatorial libraries.
    Fitzgerald SH, Sabat M, Geysen HM.
    J Comb Chem; 2007 Oct 27; 9(4):724-34. PubMed ID: 17567080
    [Abstract] [Full Text] [Related]

  • 16. 'One bead two compound libraries' for detecting chemical and biochemical conversions.
    Meldal M.
    Curr Opin Chem Biol; 2004 Jun 27; 8(3):238-44. PubMed ID: 15183321
    [Abstract] [Full Text] [Related]

  • 17. Assessment of structural diversity in combinatorial synthesis.
    Fergus S, Bender A, Spring DR.
    Curr Opin Chem Biol; 2005 Jun 27; 9(3):304-9. PubMed ID: 15939333
    [Abstract] [Full Text] [Related]

  • 18. Conformational sampling of bioactive molecules: a comparative study.
    Agrafiotis DK, Gibbs AC, Zhu F, Izrailev S, Martin E.
    J Chem Inf Model; 2007 Jun 27; 47(3):1067-86. PubMed ID: 17411028
    [Abstract] [Full Text] [Related]

  • 19. Scaffold composition and biological relevance of screening libraries.
    Shelat AA, Guy RK.
    Nat Chem Biol; 2007 Aug 27; 3(8):442-6. PubMed ID: 17637770
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  • 20. A kinase-focused compound collection: compilation and screening strategy.
    Sun D, Chuaqui C, Deng Z, Bowes S, Chin D, Singh J, Cullen P, Hankins G, Lee WC, Donnelly J, Friedman J, Josiah S.
    Chem Biol Drug Des; 2006 Jun 27; 67(6):385-94. PubMed ID: 16882313
    [Abstract] [Full Text] [Related]

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