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162 related items for PubMed ID: 11328710

  • 1. Molecular similarity based estimation of properties: a comparison of structure spaces and property spaces.
    Gute BD, Grunwald GD, Mills D, Basak SC.
    SAR QSAR Environ Res; 2001 Feb; 11(5-6):363-82. PubMed ID: 11328710
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  • 2. Molecular similarity-based estimation of properties: a comparison of three structure spaces.
    Gute BD, Basak SC.
    J Mol Graph Model; 2001 Feb; 20(1):95-109. PubMed ID: 11760007
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  • 3. Optimal neighbor selection in molecular similarity: comparison of arbitrary versus tailored prediction spaces.
    Gute BD, Basak SC.
    SAR QSAR Environ Res; 2006 Feb; 17(1):37-51. PubMed ID: 16513551
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  • 4. Quantitative molecular similarity analysis (QMSA) methods for property estimation: a comparison of property-based, arbitrary, and tailored similarity spaces.
    Basak SC, Gute BD, Mills D.
    SAR QSAR Environ Res; 2002 Dec; 13(7-8):727-42. PubMed ID: 12570049
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  • 5. Creation of predictive models of aquatic toxicity of environmental pollutants with different mechanisms of action on the basis of molecular similarity and HYBOT descriptors.
    Raevsky OA, Dearden JC.
    SAR QSAR Environ Res; 2002 Dec; 15(5-6):433-48. PubMed ID: 15669700
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  • 6. Neighborhood behavior of in silico structural spaces with respect to in vitro activity spaces-a novel understanding of the molecular similarity principle in the context of multiple receptor binding profiles.
    Horvath D, Jeandenans C.
    J Chem Inf Comput Sci; 2002 Dec; 43(2):680-90. PubMed ID: 12653538
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  • 7. Prediction of tissue-air partition coefficients: a comparison of structure-based and property-based methods.
    Basak SC, Mills D, Hawkins DM, El-Masri HA.
    SAR QSAR Environ Res; 2002 Dec; 13(7-8):649-65. PubMed ID: 12570043
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  • 8. Neighborhood behavior of in silico structural spaces with respect to in vitro activity spaces--a benchmark for neighborhood behavior assessment of different in silico similarity metrics.
    Horvath D, Jeandenans C.
    J Chem Inf Comput Sci; 2002 Dec; 43(2):691-8. PubMed ID: 12653539
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  • 9. Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores.
    Tetko IV, Solov'ev VP, Antonov AV, Yao X, Doucet JP, Fan B, Hoonakker F, Fourches D, Jost P, Lachiche N, Varnek A.
    J Chem Inf Model; 2002 Dec; 46(2):808-19. PubMed ID: 16563012
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  • 10. FlexNovo: structure-based searching in large fragment spaces.
    Degen J, Rarey M.
    ChemMedChem; 2006 Aug; 1(8):854-68. PubMed ID: 16902939
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  • 11. Consensus models of activity landscapes with multiple chemical, conformer, and property representations.
    Yongye AB, Byler K, Santos R, Martínez-Mayorga K, Maggiora GM, Medina-Franco JL.
    J Chem Inf Model; 2011 Jun 27; 51(6):1259-70. PubMed ID: 21609014
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  • 12. Three-dimensional quantitative similarity-activity relationships (3D QSiAR) from SEAL similarity matrices.
    Kubinyi H, Hamprecht FA, Mietzner T.
    J Med Chem; 1998 Jul 02; 41(14):2553-64. PubMed ID: 9651159
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  • 13. Using molecular quantum similarity measures as descriptors in quantitative structure-toxicity relationships.
    Gironés X, Amat L, Carbó-Dorca R.
    SAR QSAR Environ Res; 1999 Dec 02; 10(6):545-56. PubMed ID: 10674292
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  • 14. Toxmatch-a new software tool to aid in the development and evaluation of chemically similar groups.
    Patlewicz G, Jeliazkova N, Gallegos Saliner A, Worth AP.
    SAR QSAR Environ Res; 1999 Dec 02; 19(3-4):397-412. PubMed ID: 18484504
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  • 15. Quantitative structure-activity relationship modeling of juvenile hormone mimetic compounds for Culex pipiens larvae, with a discussion of descriptor-thinning methods.
    Basak SC, Natarajan R, Mills D, Hawkins DM, Kraker JJ.
    J Chem Inf Model; 1999 Dec 02; 46(1):65-77. PubMed ID: 16426041
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  • 16. Safety and nutritional assessment of GM plants and derived food and feed: the role of animal feeding trials.
    EFSA GMO Panel Working Group on Animal Feeding Trials .
    Food Chem Toxicol; 2008 Mar 02; 46 Suppl 1():S2-70. PubMed ID: 18328408
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  • 17. TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices.
    Casañola-Martín GM, Marrero-Ponce Y, Khan MT, Ather A, Sultan S, Torrens F, Rotondo R.
    Bioorg Med Chem; 2007 Feb 01; 15(3):1483-503. PubMed ID: 17110117
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  • 18. Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies.
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    J Chem Inf Comput Sci; 2007 Feb 01; 43(1):273-87. PubMed ID: 12546563
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  • 19. Structural similarity based kriging for quantitative structure activity and property relationship modeling.
    Teixeira AL, Falcao AO.
    J Chem Inf Model; 2014 Jul 28; 54(7):1833-49. PubMed ID: 24897621
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  • 20. Prediction of tyrosinase inhibition activity using atom-based bilinear indices.
    Marrero-Ponce Y, Khan MT, Casañola Martín GM, Ather A, Sultankhodzhaev MN, Torrens F, Rotondo R.
    ChemMedChem; 2007 Apr 28; 2(4):449-78. PubMed ID: 17366651
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