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Journal Abstract Search

140 related items for PubMed ID: 12546561

  • 1. QSAR modeling of alpha-campholenic derivatives with sandalwood odor.
    Kovatcheva A, Buchbauer G, Golbraikh A, Wolschann P.
    J Chem Inf Comput Sci; 2003; 43(1):259-66. PubMed ID: 12546561
    [Abstract] [Full Text] [Related]

  • 2. Predictive QSAR modeling of HIV reverse transcriptase inhibitor TIBO derivatives.
    Mandal AS, Roy K.
    Eur J Med Chem; 2009 Apr; 44(4):1509-24. PubMed ID: 18760864
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  • 3. QSAR modeling of datasets with enantioselective compounds using chirality sensitive molecular descriptors.
    Kovatcheva A, Golbraikh A, Oloff S, Feng J, Zheng W, Tropsha A.
    SAR QSAR Environ Res; 2005 Apr; 16(1-2):93-102. PubMed ID: 15844445
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  • 4. Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.
    Zhu H, Tropsha A, Fourches D, Varnek A, Papa E, Gramatica P, Oberg T, Dao P, Cherkasov A, Tetko IV.
    J Chem Inf Model; 2008 Apr; 48(4):766-84. PubMed ID: 18311912
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  • 5. Exploring molecular shape analysis of styrylquinoline derivatives as HIV-1 integrase inhibitors.
    Leonard JT, Roy K.
    Eur J Med Chem; 2008 Jan; 43(1):81-92. PubMed ID: 17452064
    [Abstract] [Full Text] [Related]

  • 6. Molecular modeling and structure-activity relationship of podophyllotoxin and its congeners.
    Naik PK, Alam A, Malhotra A, Rizvi O.
    J Biomol Screen; 2010 Jun; 15(5):528-40. PubMed ID: 20460251
    [Abstract] [Full Text] [Related]

  • 7. 3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities.
    Ponce YM, Diaz HG, Zaldivar VR, Torrens F, Castro EA.
    Bioorg Med Chem; 2004 Oct 15; 12(20):5331-42. PubMed ID: 15388160
    [Abstract] [Full Text] [Related]

  • 8. QSAR modeling of mono- and bis-quaternary ammonium salts that act as antagonists at neuronal nicotinic acetylcholine receptors mediating dopamine release.
    Zheng F, Bayram E, Sumithran SP, Ayers JT, Zhan CG, Schmitt JD, Dwoskin LP, Crooks PA.
    Bioorg Med Chem; 2006 May 01; 14(9):3017-37. PubMed ID: 16431111
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  • 11. Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.
    Mohr JA, Jain BJ, Obermayer K.
    J Chem Inf Model; 2008 Sep 01; 48(9):1868-81. PubMed ID: 18767832
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  • 12. Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.
    Wichapong K, Lindner M, Pianwanit S, Kokpol S, Sippl W.
    Eur J Med Chem; 2009 Apr 01; 44(4):1383-95. PubMed ID: 18976834
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  • 14. 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 01; 48(5):997-1013. PubMed ID: 18470978
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  • 15. QSAR of antilipid peroxidative activity of substituted benzodioxoles using chemometric tools.
    Mitra I, Roy K, Saha A.
    J Comput Chem; 2009 Dec 01; 30(16):2712-22. PubMed ID: 19399769
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  • 17. Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.
    Xu Y, Liu H, Niu C, Luo C, Luo X, Shen J, Chen K, Jiang H.
    Bioorg Med Chem; 2004 Dec 01; 12(23):6193-208. PubMed ID: 15519163
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  • 20. kappa Nearest neighbors QSAR modeling as a variational problem: theory and applications.
    Itskowitz P, Tropsha A.
    J Chem Inf Model; 2005 Dec 01; 45(3):777-85. PubMed ID: 15921467
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