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Journal Abstract Search

294 related items for PubMed ID: 22326864

  • 1. Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery.
    Reutlinger M, Schneider G.
    J Mol Graph Model; 2012 Apr; 34():108-17. PubMed ID: 22326864
    [Abstract] [Full Text] [Related]

  • 2. Charting, navigating, and populating natural product chemical space for drug discovery.
    Lachance H, Wetzel S, Kumar K, Waldmann H.
    J Med Chem; 2012 Jul 12; 55(13):5989-6001. PubMed ID: 22537178
    [Abstract] [Full Text] [Related]

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

  • 4. Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design.
    Ebalunode JO, Zheng W, Tropsha A.
    Methods Mol Biol; 2011 Jul 12; 685():111-33. PubMed ID: 20981521
    [Abstract] [Full Text] [Related]

  • 5. Expanding the medicinally relevant chemical space with compound libraries.
    López-Vallejo F, Giulianotti MA, Houghten RA, Medina-Franco JL.
    Drug Discov Today; 2012 Jul 12; 17(13-14):718-26. PubMed ID: 22515962
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  • 6. Applications of self-organizing neural networks in virtual screening and diversity selection.
    Selzer P, Ertl P.
    J Chem Inf Model; 2006 Jul 12; 46(6):2319-23. PubMed ID: 17125175
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  • 7. LEAP into the Pfizer Global Virtual Library (PGVL) space: creation of readily synthesizable design ideas automatically.
    Hu Q, Peng Z, Kostrowicki J, Kuki A.
    Methods Mol Biol; 2011 Jul 12; 685():253-76. PubMed ID: 20981528
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  • 8. Visualization of molecular fingerprints.
    Owen JR, Nabney IT, Medina-Franco JL, López-Vallejo F.
    J Chem Inf Model; 2011 Jul 25; 51(7):1552-63. PubMed ID: 21696145
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  • 9. Molecular library design using multi-objective optimization methods.
    Nicolaou CA, Kannas CC.
    Methods Mol Biol; 2011 Jul 25; 685():53-69. PubMed ID: 20981518
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  • 10. Shaping a screening file for maximal lead discovery efficiency and effectiveness: elimination of molecular redundancy.
    Bakken GA, Bell AS, Boehm M, Everett JR, Gonzales R, Hepworth D, Klug-McLeod JL, Lanfear J, Loesel J, Mathias J, Wood TP.
    J Chem Inf Model; 2012 Nov 26; 52(11):2937-49. PubMed ID: 23062111
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  • 11. Recent trends and observations in the design of high-quality screening collections.
    Renner S, Popov M, Schuffenhauer A, Roth HJ, Breitenstein W, Marzinzik A, Lewis I, Krastel P, Nigsch F, Jenkins J, Jacoby E.
    Future Med Chem; 2011 Apr 26; 3(6):751-66. PubMed ID: 21554080
    [Abstract] [Full Text] [Related]

  • 12. Application of combinatorial library methods in cancer research and drug discovery.
    Lam KS.
    Anticancer Drug Des; 1997 Apr 26; 12(3):145-67. PubMed ID: 9154108
    [Abstract] [Full Text] [Related]

  • 13. 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
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  • 14. Novel trends in high-throughput screening.
    Mayr LM, Bojanic D.
    Curr Opin Pharmacol; 2009 Oct 27; 9(5):580-8. PubMed ID: 19775937
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  • 15. A novel in silico approach to drug discovery via computational intelligence.
    Hecht D, Fogel GB.
    J Chem Inf Model; 2009 Apr 27; 49(4):1105-21. PubMed ID: 19348414
    [Abstract] [Full Text] [Related]

  • 16. Mapping algorithms for molecular similarity analysis and ligand-based virtual screening: design of DynaMAD and comparison with MAD and DMC.
    Eckert H, Vogt I, Bajorath J.
    J Chem Inf Model; 2006 Apr 27; 46(4):1623-34. PubMed ID: 16859294
    [Abstract] [Full Text] [Related]

  • 17. Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery.
    Therrien E, Englebienne P, Arrowsmith AG, Mendoza-Sanchez R, Corbeil CR, Weill N, Campagna-Slater V, Moitessier N.
    J Chem Inf Model; 2012 Jan 23; 52(1):210-24. PubMed ID: 22133077
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  • 18. CLEVER: pipeline for designing in silico chemical libraries.
    Song CM, Bernardo PH, Chai CL, Tong JC.
    J Mol Graph Model; 2009 Jan 23; 27(5):578-83. PubMed ID: 18986817
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  • 19. Chemoinformatics and library design.
    Zhou JZ.
    Methods Mol Biol; 2011 Jan 23; 685():27-52. PubMed ID: 20981517
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  • 20. Progress in visual representations of chemical space.
    Osolodkin DI, Radchenko EV, Orlov AA, Voronkov AE, Palyulin VA, Zefirov NS.
    Expert Opin Drug Discov; 2015 Jan 23; 10(9):959-73. PubMed ID: 26094796
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