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 *

142 related articles for article (PubMed ID: 12653538)

  • 1. 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; 2003; 43(2):680-90. PubMed ID: 12653538
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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; 2003; 43(2):691-8. PubMed ID: 12653539
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Fuzzy tricentric pharmacophore fingerprints. 1. Topological fuzzy pharmacophore triplets and adapted molecular similarity scoring schemes.
    Bonachéra F; Parent B; Barbosa F; Froloff N; Horvath D
    J Chem Inf Model; 2006; 46(6):2457-77. PubMed ID: 17125187
    [TBL] [Abstract][Full Text] [Related]  

  • 4. "Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept?
    Bender A; Jenkins JL; Glick M; Deng Z; Nettles JH; Davies JW
    J Chem Inf Model; 2006; 46(6):2445-56. PubMed ID: 17125186
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs.
    Marrero-Ponce Y; Meneses-Marcel A; Castillo-Garit JA; Machado-Tugores Y; Escario JA; Barrio AG; Pereira DM; Nogal-Ruiz JJ; Arán VJ; Martínez-Fernández AR; Torrens F; Rotondo R; Ibarra-Velarde F; Alvarado YJ
    Bioorg Med Chem; 2006 Oct; 14(19):6502-24. PubMed ID: 16875830
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ligand-based approach to in silico pharmacology: nuclear receptor profiling.
    Mestres J; Martín-Couce L; Gregori-Puigjané E; Cases M; Boyer S
    J Chem Inf Model; 2006; 46(6):2725-36. PubMed ID: 17125212
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors.
    Patterson DE; Cramer RD; Ferguson AM; Clark RD; Weinberger LE
    J Med Chem; 1996 Aug; 39(16):3049-59. PubMed ID: 8759626
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Predicting the predictability: a unified approach to the applicability domain problem of QSAR models.
    Dragos H; Gilles M; Alexandre V
    J Chem Inf Model; 2009 Jul; 49(7):1762-76. PubMed ID: 19530661
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Learning from the data: mining of large high-throughput screening databases.
    Yan SF; King FJ; He Y; Caldwell JS; Zhou Y
    J Chem Inf Model; 2006; 46(6):2381-95. PubMed ID: 17125181
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Fuzzy tricentric pharmacophore fingerprints. 2. Application of topological fuzzy pharmacophore triplets in quantitative structure-activity relationships.
    Bonachéra F; Horvath D
    J Chem Inf Model; 2008 Feb; 48(2):409-25. PubMed ID: 18254617
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Similarity search profiles as a diagnostic tool for the analysis of virtual screening calculations.
    Xue L; Godden JW; Stahura FL; Bajorath J
    J Chem Inf Comput Sci; 2004; 44(4):1275-81. PubMed ID: 15272835
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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; 46 Suppl 1():S2-70. PubMed ID: 18328408
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Comparison of 2D fingerprint methods for multiple-template similarity searching on compound activity classes of increasing structural diversity.
    Tovar A; Eckert H; Bajorath J
    ChemMedChem; 2007 Feb; 2(2):208-17. PubMed ID: 17143917
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Development and validation of a novel protein-ligand fingerprint to mine chemogenomic space: application to G protein-coupled receptors and their ligands.
    Weill N; Rognan D
    J Chem Inf Model; 2009 Apr; 49(4):1049-62. PubMed ID: 19301874
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Design and evaluation of a novel class-directed 2D fingerprint to search for structurally diverse active compounds.
    Eckert H; Bajorath J
    J Chem Inf Model; 2006; 46(6):2515-26. PubMed ID: 17125192
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Hit-directed nearest-neighbor searching.
    Shanmugasundaram V; Maggiora GM; Lajiness MS
    J Med Chem; 2005 Jan; 48(1):240-8. PubMed ID: 15634017
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures.
    Hert J; Willett P; Wilton DJ; Acklin P; Azzaoui K; Jacoby E; Schuffenhauer A
    Org Biomol Chem; 2004 Nov; 2(22):3256-66. PubMed ID: 15534703
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Determination and mapping of activity-specific descriptor value ranges for the identification of active compounds.
    Eckert H; Bajorath J
    J Med Chem; 2006 Apr; 49(7):2284-93. PubMed ID: 16570925
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.