BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

121 related articles for article (PubMed ID: 18161739)

  • 1. The calculation of polar surface area from first principles: an application of quantum chemical topology to drug design.
    Bytheway I; Darley MG; Popelier PL
    ChemMedChem; 2008 Mar; 3(3):445-53. PubMed ID: 18161739
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat.
    Lu JJ; Crimin K; Goodwin JT; Crivori P; Orrenius C; Xing L; Tandler PJ; Vidmar TJ; Amore BM; Wilson AG; Stouten PF; Burton PS
    J Med Chem; 2004 Nov; 47(24):6104-7. PubMed ID: 15537364
    [TBL] [Abstract][Full Text] [Related]  

  • 3. ADME evaluation in drug discovery. 3. Modeling blood-brain barrier partitioning using simple molecular descriptors.
    Hou TJ; Xu XJ
    J Chem Inf Comput Sci; 2003; 43(6):2137-52. PubMed ID: 14632466
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Analysing molecular polar surface descriptors to predict blood-brain barrier permeation.
    Shityakov S; Neuhaus W; Dandekar T; Förster C
    Int J Comput Biol Drug Des; 2013; 6(1-2):146-56. PubMed ID: 23428480
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Electron-density descriptors as predictors in quantitative structure--activity/property relationships and drug design.
    Matta CF; Arabi AA
    Future Med Chem; 2011 Jun; 3(8):969-94. PubMed ID: 21707400
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties.
    Ertl P; Rohde B; Selzer P
    J Med Chem; 2000 Oct; 43(20):3714-7. PubMed ID: 11020286
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Validation of a computational procedure for the calculation of the polar surface area (PSA) of organic compounds.
    Demopoulos VJ; Anagnostou C; Nicolaou I
    Pharmazie; 2002 Sep; 57(9):652-3. PubMed ID: 12369459
    [No Abstract]   [Full Text] [Related]  

  • 8. Can descriptors of the electron density distribution help to distinguish functional groups?
    Burton J; Meurice N; Leherte L; Vercauteren DP
    J Chem Inf Model; 2008 Oct; 48(10):1974-83. PubMed ID: 18831545
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Derivatives of prostate-specific antigen as predictors of incidental prostate cancer.
    Froehner M; Buck LM; Koch R; Hakenberg OW; Wirth MP
    BJU Int; 2009 Jul; 104(1):25-8. PubMed ID: 19191782
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Validation of critical points in the electron density as descriptors by building quantitative structure-property relationships for the atomic polar tensor.
    Buttingsrud B; Alsberg BK; Astrand PO
    J Comput Chem; 2007 Oct; 28(13):2130-9. PubMed ID: 17464968
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Improving the accuracy of low level quantum chemical calculation for absorption energies: the genetic algorithm and neural network approach.
    Gao T; Shi LL; Li HB; Zhao SS; Li H; Sun SL; Su ZM; Lu YH
    Phys Chem Chem Phys; 2009 Jul; 11(25):5124-9. PubMed ID: 19562144
    [TBL] [Abstract][Full Text] [Related]  

  • 12. An artificial neural network for five different assay systems of prostate-specific antigen in prostate cancer diagnostics.
    Stephan C; Cammann H; Meyer HA; Müller C; Deger S; Lein M; Jung K
    BJU Int; 2008 Sep; 102(7):799-805. PubMed ID: 18522632
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quantum Isostere Database: a web-based tool using quantum chemical topology to predict bioisosteric replacements for drug design.
    Devereux M; Popelier PL; McLay IM
    J Chem Inf Model; 2009 Jun; 49(6):1497-513. PubMed ID: 19453153
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Development of specific "drug-like property" rules for carboxylate-containing oral drug candidates.
    Böcker A; Bonneau PR; Hucke O; Jakalian A; Edwards PJ
    ChemMedChem; 2010 Dec; 5(12):2102-13. PubMed ID: 20979082
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Quantum-chemical foundations of the topological substructural molecular design.
    Estrada E
    J Phys Chem A; 2008 Jun; 112(23):5208-17. PubMed ID: 18491851
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Development and validation of AMANDA, a new algorithm for selecting highly relevant regions in Molecular Interaction Fields.
    Durán A; Martínez GC; Pastor M
    J Chem Inf Model; 2008 Sep; 48(9):1813-23. PubMed ID: 18693718
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Bioavailability of veterinary drugs in vivo and in silico.
    Grabowski T; Jaroszewski JJ
    J Vet Pharmacol Ther; 2009 Jun; 32(3):249-57. PubMed ID: 19646089
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Quantitative structure activity relationship model for predicting the depletion percentage of skin allergic chemical substances of glutathione.
    Si H; Wang T; Zhang K; Duan YB; Yuan S; Fu A; Hu Z
    Anal Chim Acta; 2007 May; 591(2):255-64. PubMed ID: 17481417
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A modified electronegativity equalization method for fast and accurate calculation of atomic charges in large biological molecules.
    Ouyang Y; Ye F; Liang Y
    Phys Chem Chem Phys; 2009 Aug; 11(29):6082-9. PubMed ID: 19606317
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A novel QSPR study of normalized migration time for drugs in capillary electrophoresis by new descriptors: quantum chemical investigation.
    Riahi S; Beheshti A; Ganjali MR; Norouzi P
    Electrophoresis; 2008 Oct; 29(19):4027-35. PubMed ID: 18958895
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.