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 *

68 related articles for article (PubMed ID: 3991679)

  • 1. Graph theoretical approach to structure-activity studies: search for optimal antitumor compounds.
    Randić M
    Prog Clin Biol Res; 1985; 172A():309-18. PubMed ID: 3991679
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. Parallel syntheses of disulfide inhibitors of the thioredoxin redox system as potential antitumor agents.
    Kirkpatrick DL; Watson S; Kunkel M; Fletcher S; Ulhaq S; Powis G
    Anticancer Drug Des; 1999 Oct; 14(5):421-32. PubMed ID: 10766297
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Lead generation using pharmacophore mapping and three-dimensional database searching: application to muscarinic M(3) receptor antagonists.
    Marriott DP; Dougall IG; Meghani P; Liu YJ; Flower DR
    J Med Chem; 1999 Aug; 42(17):3210-6. PubMed ID: 10464008
    [TBL] [Abstract][Full Text] [Related]  

  • 6. QSAR models of quail dietary toxicity based on the graph of atomic orbitals.
    Toropov AA; Benfenati E
    Bioorg Med Chem Lett; 2006 Apr; 16(7):1941-3. PubMed ID: 16442289
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A steroids QSAR approach based on approximate similarity measurements.
    Urbano Cuadrado M; Luque Ruiz I; Gómez-Nieto MA
    J Chem Inf Model; 2006; 46(4):1678-86. PubMed ID: 16859299
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A model-based approach to the in vitro evaluation of anticancer activity.
    Del Bene F; Germani M; De Nicolao G; Magni P; Re CE; Ballinari D; Rocchetti M
    Cancer Chemother Pharmacol; 2009 Apr; 63(5):827-36. PubMed ID: 18663447
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Antitumor agents. 178. Synthesis and biological evaluation of substituted 2-aryl-1,8-naphthyridin-4(1H)-ones as antitumor agents that inhibit tubulin polymerization.
    Chen K; Kuo SC; Hsieh MC; Mauger A; Lin CM; Hamel E; Lee KH
    J Med Chem; 1997 Sep; 40(19):3049-56. PubMed ID: 9301667
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Prediction of tyrosinase inhibition activity using atom-based bilinear indices.
    Marrero-Ponce Y; Khan MT; Casañola Martín GM; Ather A; Sultankhodzhaev MN; Torrens F; Rotondo R
    ChemMedChem; 2007 Apr; 2(4):449-78. PubMed ID: 17366651
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Lead validation and SAR development via chemical similarity searching; application to compounds targeting the pY+3 site of the SH2 domain of p56lck.
    Macias AT; Mia MY; Xia G; Hayashi J; MacKerell AD
    J Chem Inf Model; 2005; 45(6):1759-66. PubMed ID: 16309282
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Chemical database mining through entropy-based molecular similarity assessment of randomly generated structural fragment populations.
    Batista J; Bajorath J
    J Chem Inf Model; 2007; 47(1):59-68. PubMed ID: 17238249
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Core trees and consensus fragment sequences for molecular representation and similarity analysis.
    Lounkine E; Bajorath J
    J Chem Inf Model; 2008 Jun; 48(6):1161-6. PubMed ID: 18491888
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ames test and antitumor activity of 1-(X-phenyl)-3,3-dialkyltriazenes. Quantitative structure-activity studies based upon molecular shape analysis.
    Hopfinger AJ; Potenzone R
    Mol Pharmacol; 1982 Jan; 21(1):187-95. PubMed ID: 7132958
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A novel graph-based similarity measure for 2D chemical structures.
    Le SQ; Ho TB; Phan TT
    Genome Inform; 2004; 15(2):82-91. PubMed ID: 15706494
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Random or rational design? Evaluation of diverse compound subsets from chemical structure databases.
    Pötter T; Matter H
    J Med Chem; 1998 Feb; 41(4):478-88. PubMed ID: 9484498
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching.
    Hert J; Willett P; Wilton DJ; Acklin P; Azzaoui K; Jacoby E; Schuffenhauer A
    J Chem Inf Model; 2006; 46(2):462-70. PubMed ID: 16562973
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
    Marrero-Ponce Y; Iyarreta-Veitía M; Montero-Torres A; Romero-Zaldivar C; Brandt CA; Avila PE; Kirchgatter K; Machado Y
    J Chem Inf Model; 2005; 45(4):1082-100. PubMed ID: 16045304
    [TBL] [Abstract][Full Text] [Related]  

  • 20. QSAR models for Daphnia toxicity of pesticides based on combinations of topological parameters of molecular structures.
    Toropov AA; Benfenati E
    Bioorg Med Chem; 2006 Apr; 14(8):2779-88. PubMed ID: 16377200
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 4.