These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

154 related articles for article (PubMed ID: 21609014)

  • 1. 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; 51(6):1259-70. PubMed ID: 21609014
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Multitarget structure-activity relationships characterized by activity-difference maps and consensus similarity measure.
    Medina-Franco JL; Yongye AB; Pérez-Villanueva J; Houghten RA; Martínez-Mayorga K
    J Chem Inf Model; 2011 Sep; 51(9):2427-39. PubMed ID: 21842860
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Scanning structure-activity relationships with structure-activity similarity and related maps: from consensus activity cliffs to selectivity switches.
    Medina-Franco JL
    J Chem Inf Model; 2012 Oct; 52(10):2485-93. PubMed ID: 22989212
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs.
    Medina-Franco JL; Martínez-Mayorga K; Bender A; Marín RM; Giulianotti MA; Pinilla C; Houghten RA
    J Chem Inf Model; 2009 Feb; 49(2):477-91. PubMed ID: 19434846
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Rationalizing three-dimensional activity landscapes and the influence of molecular representations on landscape topology and the formation of activity cliffs.
    Peltason L; Iyer P; Bajorath J
    J Chem Inf Model; 2010 Jun; 50(6):1021-33. PubMed ID: 20443603
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives.
    Pérez-Villanueva J; Santos R; Hernández-Campos A; Giulianotti MA; Castillo R; Medina-Franco JL
    Bioorg Med Chem; 2010 Nov; 18(21):7380-91. PubMed ID: 20888242
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Bioactivity landscape modeling: chemoinformatic characterization of structure-activity relationships of compounds tested across multiple targets.
    Waddell J; Medina-Franco JL
    Bioorg Med Chem; 2012 Sep; 20(18):5443-52. PubMed ID: 22178187
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Exploration of 3D activity cliffs on the basis of compound binding modes and comparison of 2D and 3D cliffs.
    Hu Y; Bajorath J
    J Chem Inf Model; 2012 Mar; 52(3):670-7. PubMed ID: 22394306
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Activity landscape modeling of PPAR ligands with dual-activity difference maps.
    Méndez-Lucio O; Pérez-Villanueva J; Castillo R; Medina-Franco JL
    Bioorg Med Chem; 2012 Jun; 20(11):3523-32. PubMed ID: 22564380
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Design of multitarget activity landscapes that capture hierarchical activity cliff distributions.
    Dimova D; Wawer M; Wassermann AM; Bajorath J
    J Chem Inf Model; 2011 Feb; 51(2):258-66. PubMed ID: 21275393
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Similarity metrics for ligands reflecting the similarity of the target proteins.
    Schuffenhauer A; Floersheim P; Acklin P; Jacoby E
    J Chem Inf Comput Sci; 2003; 43(2):391-405. PubMed ID: 12653501
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Representation of multi-target activity landscapes through target pair-based compound encoding in self-organizing maps.
    Iyer P; Bajorath J
    Chem Biol Drug Des; 2011 Nov; 78(5):778-86. PubMed ID: 21895984
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Antitrypanosomal and cysteine protease inhibitory activities of alkyldiamine cryptolepine derivatives.
    Lavrado J; Mackey Z; Hansell E; McKerrow JH; Paulo A; Moreira R
    Bioorg Med Chem Lett; 2012 Oct; 22(19):6256-60. PubMed ID: 22926067
    [TBL] [Abstract][Full Text] [Related]  

  • 14. MMP-Cliffs: systematic identification of activity cliffs on the basis of matched molecular pairs.
    Hu X; Hu Y; Vogt M; Stumpfe D; Bajorath J
    J Chem Inf Model; 2012 May; 52(5):1138-45. PubMed ID: 22489665
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Conditional probabilities of activity landscape features for individual compounds.
    Vogt M; Iyer P; Maggiora GM; Bajorath J
    J Chem Inf Model; 2013 Jul; 53(7):1602-12. PubMed ID: 23789585
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.
    Waag T; Gelhaus C; Rath J; Stich A; Leippe M; Schirmeister T
    Bioorg Med Chem Lett; 2010 Sep; 20(18):5541-3. PubMed ID: 20692829
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The propeptide of cruzipain--a potent selective inhibitor of the trypanosomal enzymes cruzipain and brucipain, and of the human enzyme cathepsin F.
    Reis FC; Costa TF; Sulea T; Mezzetti A; Scharfstein J; Brömme D; Ménard R; Lima AP
    FEBS J; 2007 Mar; 274(5):1224-34. PubMed ID: 17298440
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L.
    Freitas RF; Oprea TI; Montanari CA
    Bioorg Med Chem; 2008 Jan; 16(2):838-53. PubMed ID: 17996450
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Nonpeptidic, noncovalent inhibitors of the cysteine protease cathepsin S.
    Thurmond RL; Beavers MP; Cai H; Meduna SP; Gustin DJ; Sun S; Almond HJ; Karlsson L; Edwards JP
    J Med Chem; 2004 Sep; 47(20):4799-801. PubMed ID: 15369380
    [TBL] [Abstract][Full Text] [Related]  

  • 20. From structure-activity to structure-selectivity relationships: quantitative assessment, selectivity cliffs, and key compounds.
    Peltason L; Hu Y; Bajorath J
    ChemMedChem; 2009 Nov; 4(11):1864-73. PubMed ID: 19750525
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.