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Journal Abstract Search

1376 related items for PubMed ID: 18767832

  • 21. 4D-QSAR analysis of a series of antifungal p450 inhibitors and 3D-pharmacophore comparisons as a function of alignment.
    Liu J, Pan D, Tseng Y, Hopfinger AJ.
    J Chem Inf Comput Sci; 2003; 43(6):2170-9. PubMed ID: 14632469
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  • 24. 3D-QSAR with the aid of pharmacophore search and docking-based alignments for farnesyltransferase inhibitors.
    Vaidya M, Weigt M, Wiese M.
    Eur J Med Chem; 2009 Oct; 44(10):4070-82. PubMed ID: 19515462
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  • 25. In silico binary classification QSAR models based on 4D-fingerprints and MOE descriptors for prediction of hERG blockage.
    Su BH, Shen MY, Esposito EX, Hopfinger AJ, Tseng YJ.
    J Chem Inf Model; 2010 Jul 26; 50(7):1304-18. PubMed ID: 20565102
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  • 28. Application of support vector machine (SVM) for prediction toxic activity of different data sets.
    Zhao CY, Zhang HX, Zhang XY, Liu MC, Hu ZD, Fan BT.
    Toxicology; 2006 Jan 16; 217(2-3):105-19. PubMed ID: 16213080
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  • 30. A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets.
    Shen MY, Su BH, Esposito EX, Hopfinger AJ, Tseng YJ.
    Chem Res Toxicol; 2011 Jun 20; 24(6):934-49. PubMed ID: 21504223
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  • 31. Modeling robust QSAR.
    Polanski J, Bak A, Gieleciak R, Magdziarz T.
    J Chem Inf Model; 2006 Jun 20; 46(6):2310-8. PubMed ID: 17125174
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  • 32. 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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  • 33. 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 Feb 01; 47(3):927-39. PubMed ID: 17480052
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  • 34. 3D QSAR investigations on antimalarial naphthylisoquinoline alkaloids by comparative molecular similarity indices analysis (CoMSIA), based on different alignment approaches.
    Bringmann G, Rummey C.
    J Chem Inf Comput Sci; 2003 Feb 01; 43(1):304-16. PubMed ID: 12546566
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  • 35. QSAR and classification study of 1,4-dihydropyridine calcium channel antagonists based on least squares support vector machines.
    Yao X, Liu H, Zhang R, Liu M, Hu Z, Panaye A, Doucet JP, Fan B.
    Mol Pharm; 2005 Feb 01; 2(5):348-56. PubMed ID: 16196487
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  • 36. The signature molecular descriptor. 1. Using extended valence sequences in QSAR and QSPR studies.
    Faulon JL, Visco DP, Pophale RS.
    J Chem Inf Comput Sci; 2003 Feb 01; 43(3):707-20. PubMed ID: 12767129
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  • 38. Local indices for similarity analysis (LISA)-a 3D-QSAR formalism based on local molecular similarity.
    Verma J, Malde A, Khedkar S, Iyer R, Coutinho E.
    J Chem Inf Model; 2009 Dec 01; 49(12):2695-707. PubMed ID: 19994892
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  • 39. QSAR modeling of alpha-campholenic derivatives with sandalwood odor.
    Kovatcheva A, Buchbauer G, Golbraikh A, Wolschann P.
    J Chem Inf Comput Sci; 2003 Dec 01; 43(1):259-66. PubMed ID: 12546561
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  • 40. QSAR modeling of peptide biological activity by coupling support vector machine with particle swarm optimization algorithm and genetic algorithm.
    Zhou X, Li Z, Dai Z, Zou X.
    J Mol Graph Model; 2010 Sep 01; 29(2):188-96. PubMed ID: 20621530
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