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 *

211 related articles for article (PubMed ID: 22404190)

  • 1. Searching for coordinated activity cliffs using particle swarm optimization.
    Namasivayam V; Bajorath J
    J Chem Inf Model; 2012 Apr; 52(4):927-34. PubMed ID: 22404190
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Exploring SAR continuity in the vicinity of activity cliffs.
    Namasivayam V; Iyer P; Bajorath J
    Chem Biol Drug Des; 2012 Jan; 79(1):22-9. PubMed ID: 21985661
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Prediction of individual compounds forming activity cliffs using emerging chemical patterns.
    Namasivayam V; Iyer P; Bajorath J
    J Chem Inf Model; 2013 Dec; 53(12):3131-9. PubMed ID: 24304008
    [TBL] [Abstract][Full Text] [Related]  

  • 4. From activity cliffs to activity ridges: informative data structures for SAR analysis.
    Vogt M; Huang Y; Bajorath J
    J Chem Inf Model; 2011 Aug; 51(8):1848-56. PubMed ID: 21761918
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Method for the evaluation of structure-activity relationship information associated with coordinated activity cliffs.
    Dimova D; Stumpfe D; Bajorath J
    J Med Chem; 2014 Aug; 57(15):6553-63. PubMed ID: 25014781
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Do medicinal chemists learn from activity cliffs? A systematic evaluation of cliff progression in evolving compound data sets.
    Dimova D; Heikamp K; Stumpfe D; Bajorath J
    J Med Chem; 2013 Apr; 56(8):3339-45. PubMed ID: 23527828
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Extraction of discontinuous structure-activity relationships from compound data sets through particle swarm optimization.
    Namasivayam V; Iyer P; Bajorath J
    J Chem Inf Model; 2011 Jul; 51(7):1545-51. PubMed ID: 21644503
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Structural interpretation of activity cliffs revealed by systematic analysis of structure-activity relationships in analog series.
    Sisay MT; Peltason L; Bajorath J
    J Chem Inf Model; 2009 Oct; 49(10):2179-89. PubMed ID: 19761254
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Extending the activity cliff concept: structural categorization of activity cliffs and systematic identification of different types of cliffs in the ChEMBL database.
    Hu Y; Bajorath J
    J Chem Inf Model; 2012 Jul; 52(7):1806-11. PubMed ID: 22758389
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Systematic extraction of structure-activity relationship information from biological screening data.
    Wawer M; Bajorath J
    ChemMedChem; 2009 Sep; 4(9):1431-8. PubMed ID: 19621333
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Prediction of activity cliffs using support vector machines.
    Heikamp K; Hu X; Yan A; Bajorath J
    J Chem Inf Model; 2012 Sep; 52(9):2354-65. PubMed ID: 22894655
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Graph mining for SAR transfer series.
    Gupta-Ostermann D; Wawer M; Wassermann AM; Bajorath J
    J Chem Inf Model; 2012 Apr; 52(4):935-42. PubMed ID: 22436016
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Multiobjective particle swarm optimization: automated identification of structure-activity relationship-informative compounds with favorable physicochemical property distributions.
    Namasivayam V; Bajorath J
    J Chem Inf Model; 2012 Nov; 52(11):2848-55. PubMed ID: 23039232
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Molecular scaffolds with high propensity to form multi-target activity cliffs.
    Hu Y; Bajorath J
    J Chem Inf Model; 2010 Apr; 50(4):500-10. PubMed ID: 20361784
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Comprehensive analysis of single- and multi-target activity cliffs formed by currently available bioactive compounds.
    Wassermann AM; Dimova D; Bajorath J
    Chem Biol Drug Des; 2011 Aug; 78(2):224-8. PubMed ID: 21624090
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Activity cliffs: facts or artifacts?
    Medina-Franco JL
    Chem Biol Drug Des; 2013 May; 81(5):553-6. PubMed ID: 23375049
    [TBL] [Abstract][Full Text] [Related]  

  • 18. SAR monitoring of evolving compound data sets using activity landscapes.
    Iyer P; Hu Y; Bajorath J
    J Chem Inf Model; 2011 Mar; 51(3):532-40. PubMed ID: 21322535
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Activity cliff networks for medicinal chemistry.
    Stumpfe D; Bajorath J
    Drug Dev Res; 2014 Aug; 75(5):291-8. PubMed ID: 25160069
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Similarity-potency trees: a method to search for SAR information in compound data sets and derive SAR rules.
    Wawer M; Bajorath J
    J Chem Inf Model; 2010 Aug; 50(8):1395-409. PubMed ID: 20726598
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.