BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

213 related articles for article (PubMed ID: 17238268)

  • 1. Prediction of blood-brain partitioning and human serum albumin binding based on COSMO-RS sigma-moments.
    Wichmann K; Diedenhofen M; Klamt A
    J Chem Inf Model; 2007; 47(1):228-33. PubMed ID: 17238268
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Prediction and mechanistic interpretation of human oral drug absorption using MI-QSAR analysis.
    Iyer M; Tseng YJ; Senese CL; Liu J; Hopfinger AJ
    Mol Pharm; 2007; 4(2):218-31. PubMed ID: 17397237
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Prediction of aqueous solubility of drugs and pesticides with COSMO-RS.
    Klamt A; Eckert F; Hornig M; Beck ME; Bürger T
    J Comput Chem; 2002 Jan; 23(2):275-81. PubMed ID: 11924739
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Accurate prediction of the blood-brain partitioning of a large set of solutes using ab initio calculations and genetic neural network modeling.
    Hemmateenejad B; Miri R; Safarpour MA; Mehdipour AR
    J Comput Chem; 2006 Aug; 27(11):1125-35. PubMed ID: 16721721
    [TBL] [Abstract][Full Text] [Related]  

  • 5. QSAR modeling of human serum protein binding with several modeling techniques utilizing structure-information representation.
    Votano JR; Parham M; Hall LM; Hall LH; Kier LB; Oloff S; Tropsha A
    J Med Chem; 2006 Nov; 49(24):7169-81. PubMed ID: 17125269
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Prediction of blood-brain partitioning: a model based on ab initio calculated quantum chemical descriptors.
    Van Damme S; Langenaeker W; Bultinck P
    J Mol Graph Model; 2008 Jun; 26(8):1223-36. PubMed ID: 18178493
    [TBL] [Abstract][Full Text] [Related]  

  • 7. In silico prediction of buffer solubility based on quantum-mechanical and HQSAR- and topology-based descriptors.
    Göller AH; Hennemann M; Keldenich J; Clark T
    J Chem Inf Model; 2006; 46(2):648-58. PubMed ID: 16562995
    [TBL] [Abstract][Full Text] [Related]  

  • 8. QSAR models for the prediction of binding affinities to human serum albumin using the heuristic method and a support vector machine.
    Xue CX; Zhang RS; Liu HX; Yao XJ; Liu MC; Hu ZD; Fan BT
    J Chem Inf Comput Sci; 2004; 44(5):1693-700. PubMed ID: 15446828
    [TBL] [Abstract][Full Text] [Related]  

  • 9. COSMOfrag: a novel tool for high-throughput ADME property prediction and similarity screening based on quantum chemistry.
    Hornig M; Klamt A
    J Chem Inf Model; 2005; 45(5):1169-77. PubMed ID: 16180894
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Investigating the utility of momentum-space descriptors for predicting blood-brain barrier penetration.
    Al-Fahemi JH; Cooper DL; Allan NL
    J Mol Graph Model; 2007 Oct; 26(3):607-12. PubMed ID: 17300970
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Correlation of blood-brain penetration using structural descriptors.
    Katritzky AR; Kuanar M; Slavov S; Dobchev DA; Fara DC; Karelson M; Acree WE; Solov'ev VP; Varnek A
    Bioorg Med Chem; 2006 Jul; 14(14):4888-917. PubMed ID: 16697202
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Validation of topochemical models for the prediction of permeability through the blood-brain barrier.
    Dureja H; Madan AK
    Acta Pharm; 2007 Dec; 57(4):451-67. PubMed ID: 18165189
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Prediction of aqueous solubility based on large datasets using several QSPR models utilizing topological structure representation.
    Votano JR; Parham M; Hall LH; Kier LB; Hall LM
    Chem Biodivers; 2004 Nov; 1(11):1829-41. PubMed ID: 17191819
    [TBL] [Abstract][Full Text] [Related]  

  • 14. In silico ADME modelling 2: computational models to predict human serum albumin binding affinity using ant colony systems.
    Gunturi SB; Narayanan R; Khandelwal A
    Bioorg Med Chem; 2006 Jun; 14(12):4118-29. PubMed ID: 16504519
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Insights for predicting blood-brain barrier penetration of CNS targeted molecules using QSPR approaches.
    Fan Y; Unwalla R; Denny RA; Di L; Kerns EH; Diller DJ; Humblet C
    J Chem Inf Model; 2010 Jun; 50(6):1123-33. PubMed ID: 20578728
    [TBL] [Abstract][Full Text] [Related]  

  • 16. On the prediction of thermal stability of nitroaromatic compounds using quantum chemical calculations.
    Fayet G; Rotureau P; Joubert L; Adamo C
    J Hazard Mater; 2009 Nov; 171(1-3):845-50. PubMed ID: 19616889
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Accurate prediction of basicity in aqueous solution with COSMO-RS.
    Eckert F; Klamt A
    J Comput Chem; 2006 Jan; 27(1):11-9. PubMed ID: 16235262
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Prediction of blood-brain partitioning: a model based on molecular electronegativity distance vector descriptors.
    Zhang YH; Xia ZN; Qin LT; Liu SS
    J Mol Graph Model; 2010 Sep; 29(2):214-20. PubMed ID: 20637670
    [TBL] [Abstract][Full Text] [Related]  

  • 19. COSMOsim: bioisosteric similarity based on COSMO-RS sigma profiles.
    Thormann M; Klamt A; Hornig M; Almstetter M
    J Chem Inf Model; 2006; 46(3):1040-53. PubMed ID: 16711723
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Prediction of non-ideal behavior of polarity/polarizability scales of solvent mixtures by integration of a novel COSMO-RS molecular descriptor and neural networks.
    Palomar J; Torrecilla JS; Lemus J; Ferro VR; Rodríguez F
    Phys Chem Chem Phys; 2008 Oct; 10(39):5967-75. PubMed ID: 18825284
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.