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177 related items for PubMed ID: 12761606

  • 1. Prediction of n-octanol/water partition coefficients for polychlorinated dibenzo-p-dioxins using a general regression neural network.
    Zheng G, Huang WH, Lu XH.
    Anal Bioanal Chem; 2003 Jul; 376(5):680-5. PubMed ID: 12761606
    [Abstract] [Full Text] [Related]

  • 2. Quantitative structure-property relationship studies on n-octanol/water partitioning coefficients of PCDD/Fs.
    Chen J, Quan X, Yazhi Z, Yan Y, Yang F.
    Chemosphere; 2001 Sep; 44(6):1369-74. PubMed ID: 11513114
    [Abstract] [Full Text] [Related]

  • 3. QSPR modeling of n-octanol/air partition coefficients and liquid vapor pressures of polychlorinated dibenzo-p-dioxins.
    Zeng XL, Zhang XL, Wang Y.
    Chemosphere; 2013 Apr; 91(2):229-32. PubMed ID: 23357862
    [Abstract] [Full Text] [Related]

  • 4. Predictability of physicochemical properties of polychlorinated dibenzo-p-dioxins (PCDDs) based on single-molecular descriptor models.
    Kim M, Li LY, Grace JR.
    Environ Pollut; 2016 Jun; 213():99-111. PubMed ID: 26878604
    [Abstract] [Full Text] [Related]

  • 5. Single-descriptor based quantum-chemical QSPRs for physico-chemical properties of polychlorinated-dibenzo-p-dioxins and -dibenzo-furans (PCDD/Fs): exploring the role of electron-correlation.
    Vikas, Chayawan.
    Chemosphere; 2015 Jan; 118():239-45. PubMed ID: 25282689
    [Abstract] [Full Text] [Related]

  • 6. Application of TLSER method in predicting the aqueous solubility and n-octanol/water partition coefficient of PCBs, PCDDs and PCDFs.
    Huang J, Yu G, Zhang ZL, Wang YL, Zhu WH, Wu GS.
    J Environ Sci (China); 2004 Jan; 16(1):21-9. PubMed ID: 14971446
    [Abstract] [Full Text] [Related]

  • 7. QSAR study on the Ah receptor-binding affinities of polyhalogenated dibenzo-p-dioxins using net atomic-charge descriptors and a radial basis neural network.
    Zheng G, Xiao M, Lu XH.
    Anal Bioanal Chem; 2005 Nov; 383(5):810-6. PubMed ID: 16231135
    [Abstract] [Full Text] [Related]

  • 8. A neural network based prediction of octanol-water partition coefficients using atomic5 fragmental descriptors.
    Molnár L, Keseru GM, Papp A, Gulyás Z, Darvas F.
    Bioorg Med Chem Lett; 2004 Feb 23; 14(4):851-3. PubMed ID: 15012980
    [Abstract] [Full Text] [Related]

  • 9. Mathematical relationships between vapor pressure, water solubility, Henry's law constant, n-octanol/water partition coefficent and gas chromatographic retention index of polychlorinated-dibenzo-dioxins.
    Wan YH, Wong PK.
    Water Res; 2002 Jan 23; 36(1):350-5. PubMed ID: 11766813
    [Abstract] [Full Text] [Related]

  • 10. Estimating the physicochemical properties of polyhalogenated aromatic and aliphatic compounds using UPPER: part 2. Aqueous solubility, octanol solubility and octanol-water partition coefficient.
    Admire B, Lian B, Yalkowsky SH.
    Chemosphere; 2015 Jan 23; 119():1441-1446. PubMed ID: 25454206
    [Abstract] [Full Text] [Related]

  • 11. Use of quantitative-structure property relationship (QSPR) and artificial neural network (ANN) based approaches for estimating the octanol-water partition coefficients of the 209 chlorinated trans-azobenzene congeners.
    Wilczyńska-Piliszek AJ, Piliszek S, Falandysz J.
    J Environ Sci Health B; 2012 Jan 23; 47(2):111-28. PubMed ID: 22251211
    [Abstract] [Full Text] [Related]

  • 12. QSPR models of n-octanol/water partition coefficients and aqueous solubility of halogenated methyl-phenyl ethers by DFT method.
    Zeng XL, Wang HJ, Wang Y.
    Chemosphere; 2012 Feb 23; 86(6):619-25. PubMed ID: 22115466
    [Abstract] [Full Text] [Related]

  • 13. Physico-chemical properties of PCDD/PCDFs and phthalate esters.
    Saçan MT, Ozkul M, Erdem SS.
    SAR QSAR Environ Res; 2005 Oct 23; 16(5):443-59. PubMed ID: 16272043
    [Abstract] [Full Text] [Related]

  • 14. Prediction of octanol--air partition coefficients of semivolatile organic compounds based on molecular connectivity index.
    Zhao H, Zhang Q, Chen J, Xue X, Liang X.
    Chemosphere; 2005 Jun 23; 59(10):1421-6. PubMed ID: 15876385
    [Abstract] [Full Text] [Related]

  • 15. Prediction of octanol-water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural network.
    Golmohammadi H.
    J Comput Chem; 2009 Nov 30; 30(15):2455-65. PubMed ID: 19360793
    [Abstract] [Full Text] [Related]

  • 16. Prediction of the retentions of polybrominated dibenzo-p-dioxins (PBDDs) by using the retentions of polychlorinated dibenzo-p-dioxins (PCDDs).
    Liang X, Wang W, Wu W, Schramm KW, Henkelmann B, Oxynos K, Kettrup A.
    Chemosphere; 2000 Sep 30; 41(6):917-21. PubMed ID: 10864165
    [Abstract] [Full Text] [Related]

  • 17. Correlation of the photolysis half-lives of polychlorinated dibenzo-p-dioxins and dibenzofurans with molecular structure.
    Katritzky AR, Slavov SH, Stoyanova-Slavova IB, Karelson M.
    J Phys Chem A; 2010 Feb 25; 114(7):2684-8. PubMed ID: 20112909
    [Abstract] [Full Text] [Related]

  • 18. [QSPR study on the lipid-water partition coefficients of dioxins based on DFT].
    Gu CG, Jiang X, Bian YR, Yu GF.
    Huan Jing Ke Xue; 2008 May 25; 29(5):1330-5. PubMed ID: 18624202
    [Abstract] [Full Text] [Related]

  • 19. Prediction of aqueous solubility and partition coefficient optimized by a genetic algorithm based descriptor selection method.
    Wegner JK, Zell A.
    J Chem Inf Comput Sci; 2003 May 25; 43(3):1077-84. PubMed ID: 12767167
    [Abstract] [Full Text] [Related]

  • 20. Effect of water on catalyzed de novo formation of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans.
    Li XD, Zhang J, Yan JH, Chen T, Lu SY, Cen KF.
    J Hazard Mater; 2006 Sep 01; 137(1):57-61. PubMed ID: 16533559
    [Abstract] [Full Text] [Related]

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