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Journal Abstract Search

367 related items for PubMed ID: 18613071

  • 21. Improvement of multivariate image analysis applied to quantitative structure-activity relationship (QSAR) analysis by using wavelet-principal component analysis ranking variable selection and least-squares support vector machine regression: QSAR study of checkpoint kinase WEE1 inhibitors.
    Cormanich RA, Goodarzi M, Freitas MP.
    Chem Biol Drug Des; 2009 Feb; 73(2):244-52. PubMed ID: 19207427
    [Abstract] [Full Text] [Related]

  • 22. Fragment-similarity-based QSAR (FS-QSAR) algorithm for ligand biological activity predictions.
    Myint KZ, Ma C, Wang L, Xie XQ.
    SAR QSAR Environ Res; 2011 Jun; 22(3):385-410. PubMed ID: 21598200
    [Abstract] [Full Text] [Related]

  • 23. Per aspera ad astra: application of Simplex QSAR approach in antiviral research.
    Muratov EN, Artemenko AG, Varlamova EV, Polischuk PG, Lozitsky VP, Fedchuk AS, Lozitska RL, Gridina TL, Koroleva LS, Sil'nikov VN, Galabov AS, Makarov VA, Riabova OB, Wutzler P, Schmidtke M, Kuz'min VE.
    Future Med Chem; 2010 Jul; 2(7):1205-26. PubMed ID: 21426164
    [Abstract] [Full Text] [Related]

  • 24. The analysis of structure-anticancer and antiviral activity relationships for macrocyclic pyridinophanes and their analogues on the basis of 4D QSAR models (simplex representation of molecular structure).
    Kuz'min VE, Artemenko AG, Lozitsky VP, Muratov EN, Fedtchouk AS, Dyachenko NS, Nosach LN, Gridina TL, Shitikova LI, Mudrik LM, Mescheriakov AK, Chelombitko VA, Zheltvay AI, Vanden Eynde JJ.
    Acta Biochim Pol; 2002 Jul; 49(1):157-68. PubMed ID: 12136936
    [Abstract] [Full Text] [Related]

  • 25. Multitemplate alignment method for the development of a reliable 3D-QSAR model for the analysis of MMP3 inhibitors.
    Tuccinardi T, Ortore G, Santos MA, Marques SM, Nuti E, Rossello A, Martinelli A.
    J Chem Inf Model; 2009 Jul; 49(7):1715-24. PubMed ID: 19522467
    [Abstract] [Full Text] [Related]

  • 26. 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]

  • 27. Physics and chemistry-driven artificial neural network for predicting bioactivity of peptides and proteins and their design.
    Huang RB, Du QS, Wei YT, Pang ZW, Wei H, Chou KC.
    J Theor Biol; 2009 Feb 07; 256(3):428-35. PubMed ID: 18835398
    [Abstract] [Full Text] [Related]

  • 28. QSAR modeling of alpha-campholenic derivatives with sandalwood odor.
    Kovatcheva A, Buchbauer G, Golbraikh A, Wolschann P.
    J Chem Inf Comput Sci; 2003 Feb 07; 43(1):259-66. PubMed ID: 12546561
    [Abstract] [Full Text] [Related]

  • 29. Rational drug design for anti-cancer chemotherapy: multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents.
    Speck-Planche A, Kleandrova VV, Luan F, Cordeiro MN.
    Bioorg Med Chem; 2012 Aug 01; 20(15):4848-55. PubMed ID: 22750007
    [Abstract] [Full Text] [Related]

  • 30. Fragment-based QSAR strategies in drug design.
    Salum LB, Andricopulo AD.
    Expert Opin Drug Discov; 2010 May 01; 5(5):405-12. PubMed ID: 22823126
    [Abstract] [Full Text] [Related]

  • 31. Correlation of blood-brain penetration using structural descriptors.
    Katritzky AR, Kuanar M, Slavov S, Dobchev DA, Fara DC, Karelson M, Acree WE, Solov'ev VP, Varnek A.
    Bioorg Med Chem; 2006 Jul 15; 14(14):4888-917. PubMed ID: 16697202
    [Abstract] [Full Text] [Related]

  • 32. Docking and 3D-QSAR investigations of pyrrolidine derivatives as potent neuraminidase inhibitors.
    Sun J, Mei H.
    Chem Biol Drug Des; 2012 May 15; 79(5):863-8. PubMed ID: 22251826
    [Abstract] [Full Text] [Related]

  • 33. Fingerprint-based clustering applied to define a QSAR model use radius.
    Sprous DG.
    J Mol Graph Model; 2008 Sep 15; 27(2):225-32. PubMed ID: 18556228
    [Abstract] [Full Text] [Related]

  • 34. Heuristic molecular lipophilicity potential (HMLP): a 2D-QSAR study to LADH of molecular family pyrazole and derivatives.
    Du Q, Mezey PG, Chou KC.
    J Comput Chem; 2005 Apr 15; 26(5):461-70. PubMed ID: 15690416
    [Abstract] [Full Text] [Related]

  • 35. 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]

  • 36. TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new anti-inflammatory compounds.
    Pérez González M, Dias LC, Helguera AM, Rodríguez YM, de Oliveira LG, Gomez LT, Diaz HG.
    Bioorg Med Chem; 2004 Aug 15; 12(16):4467-75. PubMed ID: 15265497
    [Abstract] [Full Text] [Related]

  • 37. Quantitative structure-activity relationship modeling of the toxicity of organothiophosphate pesticides to Daphnia magna and Cyprinus carpio.
    Zvinavashe E, Du T, Griff T, van den Berg HH, Soffers AE, Vervoort J, Murk AJ, Rietjens IM.
    Chemosphere; 2009 Jun 15; 75(11):1531-8. PubMed ID: 19376559
    [Abstract] [Full Text] [Related]

  • 38. Robust cross-validation of linear regression QSAR models.
    Konovalov DA, Llewellyn LE, Vander Heyden Y, Coomans D.
    J Chem Inf Model; 2008 Oct 15; 48(10):2081-94. PubMed ID: 18826208
    [Abstract] [Full Text] [Related]

  • 39. Novel inhibitors of human histone deacetylase (HDAC) identified by QSAR modeling of known inhibitors, virtual screening, and experimental validation.
    Tang H, Wang XS, Huang XP, Roth BL, Butler KV, Kozikowski AP, Jung M, Tropsha A.
    J Chem Inf Model; 2009 Feb 15; 49(2):461-76. PubMed ID: 19182860
    [Abstract] [Full Text] [Related]

  • 40. Binding orientations, QSAR, and molecular design of thiophene derivative inhibitors.
    Liao SY, Chen TJ, Miao TF, Qian L, Zheng KC.
    Chem Biol Drug Des; 2009 Sep 15; 74(3):289-96. PubMed ID: 19703031
    [Abstract] [Full Text] [Related]

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