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 *

108 related articles for article (PubMed ID: 16562990)

  • 1. Similarity searching in databases of flexible 3D structures using autocorrelation vectors derived from smoothed bounded distance matrices.
    Rhodes N; Clark DE; Willett P
    J Chem Inf Model; 2006; 46(2):615-9. PubMed ID: 16562990
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Similarity searching in databases of flexible 3D structures using smoothed bounded distance matrices.
    Raymond JW; Willett P
    J Chem Inf Comput Sci; 2003; 43(3):908-16. PubMed ID: 12767149
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Training similarity measures for specific activities: application to reduced graphs.
    Birchall K; Gillet VJ; Harper G; Pickett SD
    J Chem Inf Model; 2006; 46(2):577-86. PubMed ID: 16562986
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information.
    Hert J; Willett P; Wilton DJ; Acklin P; Azzaoui K; Jacoby E; Schuffenhauer A
    J Med Chem; 2005 Nov; 48(22):7049-54. PubMed ID: 16250664
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Integrating structure- and ligand-based virtual screening: comparison of individual, parallel, and fused molecular docking and similarity search calculations on multiple targets.
    Tan L; Geppert H; Sisay MT; Gütschow M; Bajorath J
    ChemMedChem; 2008 Oct; 3(10):1566-71. PubMed ID: 18651695
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Predicting the performance of fingerprint similarity searching.
    Vogt M; Bajorath J
    Methods Mol Biol; 2011; 672():159-73. PubMed ID: 20838968
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Scaffold hopping using clique detection applied to reduced graphs.
    Barker EJ; Buttar D; Cosgrove DA; Gardiner EJ; Kitts P; Willett P; Gillet VJ
    J Chem Inf Model; 2006; 46(2):503-11. PubMed ID: 16562978
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Searching for pharmacophoric patterns in databases of three-dimensional chemical structures.
    Willett P
    J Mol Recognit; 1995; 8(5):290-303. PubMed ID: 8619950
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Flexible 3D pharmacophores as descriptors of dynamic biological space.
    Nettles JH; Jenkins JL; Williams C; Clark AM; Bender A; Deng Z; Davies JW; Glick M
    J Mol Graph Model; 2007 Oct; 26(3):622-33. PubMed ID: 17395510
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Impact of conformational flexibility on three-dimensional similarity searching using correlation vectors.
    Renner S; Schwab CH; Gasteiger J; Schneider G
    J Chem Inf Model; 2006; 46(6):2324-32. PubMed ID: 17125176
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Virtual screening for R-groups, including predicted pIC50 contributions, within large structural databases, using Topomer CoMFA.
    Cramer RD; Cruz P; Stahl G; Curtiss WC; Campbell B; Masek BB; Soltanshahi F
    J Chem Inf Model; 2008 Nov; 48(11):2180-95. PubMed ID: 18956863
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Shannon entropy-based fingerprint similarity search strategy.
    Wang Y; Geppert H; Bajorath J
    J Chem Inf Model; 2009 Jul; 49(7):1687-91. PubMed ID: 19583222
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Targets looking for drugs: a multistep computational protocol for the development of structure-based pharmacophores and their applications for hit discovery.
    Tintori C; Corradi V; Magnani M; Manetti F; Botta M
    J Chem Inf Model; 2008 Nov; 48(11):2166-79. PubMed ID: 18942779
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 3D QSAR studies on protein tyrosine phosphatase 1B inhibitors: comparison of the quality and predictivity among 3D QSAR models obtained from different conformer-based alignments.
    Pandey G; Saxena AK
    J Chem Inf Model; 2006; 46(6):2579-90. PubMed ID: 17125198
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Introduction of a generally applicable method to estimate retrieval of active molecules for similarity searching using fingerprints.
    Vogt M; Bajorath J
    ChemMedChem; 2007 Sep; 2(9):1311-20. PubMed ID: 17562536
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors.
    Nettles JH; Jenkins JL; Bender A; Deng Z; Davies JW; Glick M
    J Med Chem; 2006 Nov; 49(23):6802-10. PubMed ID: 17154510
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Novel DOCK clique driven 3D similarity database search tools for molecule shape matching and beyond: adding flexibility to the search for ligand kin.
    Good AC
    J Mol Graph Model; 2007 Oct; 26(3):656-66. PubMed ID: 17482856
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.