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Journal Abstract Search

258 related items for PubMed ID: 15743205

  • 1. A general method for exploiting QSAR models in lead optimization.
    Lewis RA.
    J Med Chem; 2005 Mar 10; 48(5):1638-48. PubMed ID: 15743205
    [Abstract] [Full Text] [Related]

  • 2. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
    Marrero-Ponce Y, Iyarreta-Veitía M, Montero-Torres A, Romero-Zaldivar C, Brandt CA, Avila PE, Kirchgatter K, Machado Y.
    J Chem Inf Model; 2005 Mar 10; 45(4):1082-100. PubMed ID: 16045304
    [Abstract] [Full Text] [Related]

  • 3. Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.
    Mohr JA, Jain BJ, Obermayer K.
    J Chem Inf Model; 2008 Sep 10; 48(9):1868-81. PubMed ID: 18767832
    [Abstract] [Full Text] [Related]

  • 4. Evolutionary optimization in quantitative structure-activity relationship: an application of genetic neural networks.
    So SS, Karplus M.
    J Med Chem; 1996 Mar 29; 39(7):1521-30. PubMed ID: 8691483
    [Abstract] [Full Text] [Related]

  • 5. A combinatorial feature selection approach to describe the QSAR of dual site inhibitors of acetylcholinesterase.
    Asadabadi EB, Abdolmaleki P, Barkooie SM, Jahandideh S, Rezaei MA.
    Comput Biol Med; 2009 Dec 29; 39(12):1089-95. PubMed ID: 19854437
    [Abstract] [Full Text] [Related]

  • 6. QSAR models for predicting enzymatic hydrolysis of new chemical entities in 'soft-drug' design.
    Massarelli I, Macchia M, Minutolo F, Prota G, Bianucci AM.
    Bioorg Med Chem; 2009 May 15; 17(10):3543-56. PubMed ID: 19398207
    [Abstract] [Full Text] [Related]

  • 7. Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds.
    Prado-Prado FJ, González-Díaz H, de la Vega OM, Ubeira FM, Chou KC.
    Bioorg Med Chem; 2008 Jun 01; 16(11):5871-80. PubMed ID: 18485714
    [Abstract] [Full Text] [Related]

  • 8. Using molecular docking, 3D-QSAR, and cluster analysis for screening structurally diverse data sets of pharmacological interest.
    Santos-Filho OA, Cherkasov A.
    J Chem Inf Model; 2008 Oct 01; 48(10):2054-65. PubMed ID: 18816024
    [Abstract] [Full Text] [Related]

  • 9. Exploiting QSAR models in lead optimization.
    Gedeck P, Lewis RA.
    Curr Opin Drug Discov Devel; 2008 Jul 01; 11(4):569-75. PubMed ID: 18600573
    [Abstract] [Full Text] [Related]

  • 10. Ensemble feature selection: consistent descriptor subsets for multiple QSAR models.
    Dutta D, Guha R, Wild D, Chen T.
    J Chem Inf Model; 2007 Jul 01; 47(3):989-97. PubMed ID: 17407280
    [Abstract] [Full Text] [Related]

  • 11. Applying data mining techniques to library design, lead generation and lead optimization.
    Weaver DC.
    Curr Opin Chem Biol; 2004 Jun 01; 8(3):264-70. PubMed ID: 15183324
    [Abstract] [Full Text] [Related]

  • 12. Fragment-based quantitative structure-activity relationship (FB-QSAR) for fragment-based drug design.
    Du QS, Huang RB, Wei YT, Pang ZW, Du LQ, Chou KC.
    J Comput Chem; 2009 Jan 30; 30(2):295-304. PubMed ID: 18613071
    [Abstract] [Full Text] [Related]

  • 13. Comparison data sets for benchmarking QSAR methodologies in lead optimization.
    Mittal RR, McKinnon RA, Sorich MJ.
    J Chem Inf Model; 2009 Jul 30; 49(7):1810-20. PubMed ID: 19569715
    [Abstract] [Full Text] [Related]

  • 14. Modeling robust QSAR.
    Polanski J, Bak A, Gieleciak R, Magdziarz T.
    J Chem Inf Model; 2006 Jul 30; 46(6):2310-8. PubMed ID: 17125174
    [Abstract] [Full Text] [Related]

  • 15. Stochastic versus stepwise strategies for quantitative structure-activity relationship generation--how much effort may the mining for successful QSAR models take?
    Horvath D, Bonachera F, Solov'ev V, Gaudin C, Varnek A.
    J Chem Inf Model; 2007 Jul 30; 47(3):927-39. PubMed ID: 17480052
    [Abstract] [Full Text] [Related]

  • 16. Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks.
    Prado-Prado FJ, Martinez de la Vega O, Uriarte E, Ubeira FM, Chou KC, González-Díaz H.
    Bioorg Med Chem; 2009 Jan 15; 17(2):569-75. PubMed ID: 19112024
    [Abstract] [Full Text] [Related]

  • 17. Combinatorial QSAR modeling of specificity and subtype selectivity of ligands binding to serotonin receptors 5HT1E and 5HT1F.
    Wang XS, Tang H, Golbraikh A, Tropsha A.
    J Chem Inf Model; 2008 May 15; 48(5):997-1013. PubMed ID: 18470978
    [Abstract] [Full Text] [Related]

  • 18. Neural networks in building QSAR models.
    Baskin II, Palyulin VA, Zefirov NS.
    Methods Mol Biol; 2008 May 15; 458():137-58. PubMed ID: 19065809
    [Abstract] [Full Text] [Related]

  • 19. QSAR modeling and computer-aided design of antimicrobial peptides.
    Jenssen H, Fjell CD, Cherkasov A, Hancock RE.
    J Pept Sci; 2008 Jan 15; 14(1):110-4. PubMed ID: 17847019
    [Abstract] [Full Text] [Related]

  • 20. Modeling robust QSAR. 1. Coding molecules in 3D-QSAR--from a point to surface sectors and molecular volumes.
    Gieleciak R, Magdziarz T, Bak A, Polanski J.
    J Chem Inf Model; 2005 Jan 15; 45(5):1447-55. PubMed ID: 16180922
    [Abstract] [Full Text] [Related]

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