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 *

167 related articles for article (PubMed ID: 17031542)

  • 1. A novel workflow for the inverse QSPR problem using multiobjective optimization.
    Brown N; McKay B; Gasteiger J
    J Comput Aided Mol Des; 2006 May; 20(5):333-41. PubMed ID: 17031542
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Inverse QSPR/QSAR Analysis for Chemical Structure Generation (from y to x).
    Miyao T; Kaneko H; Funatsu K
    J Chem Inf Model; 2016 Feb; 56(2):286-99. PubMed ID: 26818135
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Development of QSPR Strategy for the Solubility Prediction.
    Munjal NS; Sharma M; Singh TR
    Curr Comput Aided Drug Des; 2018; 14(4):302-309. PubMed ID: 30003861
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Six global and local QSPR models of aqueous solubility at pH = 7.4 based on structural similarity and physicochemical descriptors.
    Raevsky OA; Grigorev VY; Polianczyk DE; Raevskaja OE; Dearden JC
    SAR QSAR Environ Res; 2017 Aug; 28(8):661-676. PubMed ID: 28891683
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The de novo design of median molecules within a property range of interest.
    Brown N; McKay B; Gasteiger J
    J Comput Aided Mol Des; 2004 Dec; 18(12):761-71. PubMed ID: 16075308
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Predicting aqueous solubility by QSPR modeling.
    Meftahi N; Walker ML; Smith BJ
    J Mol Graph Model; 2021 Jul; 106():107901. PubMed ID: 33857890
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Scores of extended connectivity fingerprint as descriptors in QSPR study of melting point and aqueous solubility.
    Zhou D; Alelyunas Y; Liu R
    J Chem Inf Model; 2008 May; 48(5):981-7. PubMed ID: 18465850
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Inverse-QSPR for de novo Design: A Review.
    Gantzer P; Creton B; Nieto-Draghi C
    Mol Inform; 2020 Apr; 39(4):e1900087. PubMed ID: 31682079
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Prediction and application in QSPR of aqueous solubility of sulfur-containing aromatic esters using GA-based MLR with quantum descriptors.
    Yin C; Liu X; Guo W; Lin T; Wang X; Wang L
    Water Res; 2002 Jul; 36(12):2975-82. PubMed ID: 12171394
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Major Source of Error in QSPR Prediction of Intrinsic Thermodynamic Solubility of Drugs: Solid vs Nonsolid State Contributions?
    Abramov YA
    Mol Pharm; 2015 Jun; 12(6):2126-41. PubMed ID: 25880026
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Automated QSPR through Competitive Workflow.
    Cartmell J; Enoch S; Krstajic D; Leahy DE
    J Comput Aided Mol Des; 2005 Nov; 19(11):821-33. PubMed ID: 16416245
    [TBL] [Abstract][Full Text] [Related]  

  • 12. How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?
    Geidl S; Svobodová Vařeková R; Bendová V; Petrusek L; Ionescu CM; Jurka Z; Abagyan R; Koča J
    J Chem Inf Model; 2015 Jun; 55(6):1088-97. PubMed ID: 26010215
    [TBL] [Abstract][Full Text] [Related]  

  • 13. In silico Prediction of Aqueous Solubility: a Comparative Study of Local and Global Predictive Models.
    Raevsky OA; Polianczyk DE; Grigorev VY; Raevskaja OE; Dearden JC
    Mol Inform; 2015 Jun; 34(6-7):417-30. PubMed ID: 27490387
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Wavelet neural network modeling in QSPR for prediction of solubility of 25 anthraquinone dyes at different temperatures and pressures in supercritical carbon dioxide.
    Tabaraki R; Khayamian T; Ensafi AA
    J Mol Graph Model; 2006 Sep; 25(1):46-54. PubMed ID: 16337156
    [TBL] [Abstract][Full Text] [Related]  

  • 15. New QSPR equations for prediction of aqueous solubility for military compounds.
    Muratov EN; Kuz'min VE; Artemenko AG; Kovdienko NA; Gorb L; Hill F; Leszczynski J
    Chemosphere; 2010 May; 79(8):887-90. PubMed ID: 20233619
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Prediction of toxicity of nitrobenzenes using ab initio and least squares support vector machines.
    Niazi A; Jameh-Bozorghi S; Nori-Shargh D
    J Hazard Mater; 2008 Mar; 151(2-3):603-9. PubMed ID: 17630186
    [TBL] [Abstract][Full Text] [Related]  

  • 17. QSPR modeling the aqueous solubility of alcohols by optimization of correlation weights of local graph invariants.
    Duchowicz PR; Castro EA; Toropov AA; Nesterov IV; Nabiev OM
    Mol Divers; 2004; 8(4):325-30. PubMed ID: 15612636
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Quantitative structure/property relationship analysis on aqueous solubility using genetic algorithm-combined partial least squares method.
    Wanchana S; Yamashita F; Hashida M
    Pharmazie; 2002 Feb; 57(2):127-9. PubMed ID: 11878188
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Combination of genetic algorithm and partial least squares for cloud point prediction of nonionic surfactants from molecular structures.
    Ghasemi J; Ahmadi S
    Ann Chim; 2007; 97(1-2):69-83. PubMed ID: 17822265
    [TBL] [Abstract][Full Text] [Related]  

  • 20. On the aggregation state and QSPR models. The solubility of herbicides as a case study.
    Delgado EJ; Alderete JB; Matamala AR; Jaña GA
    J Chem Inf Comput Sci; 2004; 44(3):958-63. PubMed ID: 15154763
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.