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 *

146 related articles for article (PubMed ID: 15921457)

  • 1. Small molecule shape-fingerprints.
    Haigh JA; Pickup BT; Grant JA; Nicholls A
    J Chem Inf Model; 2005; 45(3):673-84. PubMed ID: 15921457
    [TBL] [Abstract][Full Text] [Related]  

  • 2. How similar are similarity searching methods? A principal component analysis of molecular descriptor space.
    Bender A; Jenkins JL; Scheiber J; Sukuru SC; Glick M; Davies JW
    J Chem Inf Model; 2009 Jan; 49(1):108-19. PubMed ID: 19123924
    [TBL] [Abstract][Full Text] [Related]  

  • 3. On-the-fly selection of a training set for aqueous solubility prediction.
    Zhang H; Ando HY; Chen L; Lee PH
    Mol Pharm; 2007; 4(4):489-97. PubMed ID: 17628076
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Profile scaling increases the similarity search performance of molecular fingerprints containing numerical descriptors and structural keys.
    Xue L; Godden JW; Stahura FL; Bajorath J
    J Chem Inf Comput Sci; 2003; 43(4):1218-25. PubMed ID: 12870914
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Bayesian screening for active compounds in high-dimensional chemical spaces combining property descriptors and molecular fingerprints.
    Vogt M; Bajorath J
    Chem Biol Drug Des; 2008 Jan; 71(1):8-14. PubMed ID: 18069988
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Mold(2), molecular descriptors from 2D structures for chemoinformatics and toxicoinformatics.
    Hong H; Xie Q; Ge W; Qian F; Fang H; Shi L; Su Z; Perkins R; Tong W
    J Chem Inf Model; 2008 Jul; 48(7):1337-44. PubMed ID: 18564836
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Critical comparison of virtual screening methods against the MUV data set.
    Tiikkainen P; Markt P; Wolber G; Kirchmair J; Distinto S; Poso A; Kallioniemi O
    J Chem Inf Model; 2009 Oct; 49(10):2168-78. PubMed ID: 19799417
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Comparison of nonbinary similarity coefficients for similarity searching, clustering and compound selection.
    Al Khalifa A; Haranczyk M; Holliday J
    J Chem Inf Model; 2009 May; 49(5):1193-201. PubMed ID: 19405526
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Bit silencing in fingerprints enables the derivation of compound class-directed similarity metrics.
    Wang Y; Bajorath J
    J Chem Inf Model; 2008 Sep; 48(9):1754-9. PubMed ID: 18698839
    [TBL] [Abstract][Full Text] [Related]  

  • 10. RelACCS-FP: a structural minimalist approach to fingerprint design.
    Hu Y; Lounkine E; Batista J; Bajorath J
    Chem Biol Drug Des; 2008 Nov; 72(5):341-9. PubMed ID: 19012570
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Mathematical correction for fingerprint similarity measures to improve chemical retrieval.
    Swamidass SJ; Baldi P
    J Chem Inf Model; 2007; 47(3):952-64. PubMed ID: 17444629
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Combining pharmacophore fingerprints and PLS-discriminant analysis for virtual screening and SAR elucidation.
    Askjaer S; Langgård M
    J Chem Inf Model; 2008 Mar; 48(3):476-88. PubMed ID: 18281962
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Exploring molecular shape analysis of styrylquinoline derivatives as HIV-1 integrase inhibitors.
    Leonard JT; Roy K
    Eur J Med Chem; 2008 Jan; 43(1):81-92. PubMed ID: 17452064
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantifying the fingerprint descriptor dependence of structure-activity relationship information on a large scale.
    Dimova D; Stumpfe D; Bajorath J
    J Chem Inf Model; 2013 Sep; 53(9):2275-81. PubMed ID: 23968259
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Unconventional 2D shape similarity method affords comparable enrichment as a 3D shape method in virtual screening experiments.
    Ebalunode JO; Zheng W
    J Chem Inf Model; 2009 Jun; 49(6):1313-20. PubMed ID: 19480404
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ultrafast shape recognition to search compound databases for similar molecular shapes.
    Ballester PJ; Richards WG
    J Comput Chem; 2007 Jul; 28(10):1711-23. PubMed ID: 17342716
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A similarity-based data-fusion approach to the visual characterization and comparison of compound databases.
    Medina-Franco JL; Maggiora GM; Giulianotti MA; Pinilla C; Houghten RA
    Chem Biol Drug Des; 2007 Nov; 70(5):393-412. PubMed ID: 17927720
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.
    Schuffenhauer A; Brown N; Selzer P; Ertl P; Jacoby E
    J Chem Inf Model; 2006; 46(2):525-35. PubMed ID: 16562980
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ligand-based virtual screening by novelty detection with self-organizing maps.
    Hristozov D; Oprea TI; Gasteiger J
    J Chem Inf Model; 2007; 47(6):2044-62. PubMed ID: 17854167
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 8.