234 related articles for article (PubMed ID: 21339002)
1. QSPR modeling of bioconcentration factor of nonionic compounds using Gaussian processes and theoretical descriptors derived from electrostatic potentials on molecular surface.
Peng S; Jian-Wei Z; Peng Z; Lin X
Chemosphere; 2011 May; 83(8):1045-52. PubMed ID: 21339002
[TBL] [Abstract][Full Text] [Related]
2. The accurate QSPR models to predict the bioconcentration factors of nonionic organic compounds based on the heuristic method and support vector machine.
Liu H; Yao X; Zhang R; Liu M; Hu Z; Fan B
Chemosphere; 2006 May; 63(5):722-33. PubMed ID: 16226786
[TBL] [Abstract][Full Text] [Related]
3. QSPR models for the physicochemical properties of halogenated methyl-phenyl ethers.
Xu HY; Zhang JY; Zou JW; Chen XS
J Mol Graph Model; 2008 Apr; 26(7):1076-81. PubMed ID: 18060816
[TBL] [Abstract][Full Text] [Related]
4. QSPR study of Setschenow constants of organic compounds using MLR, ANN, and SVM analyses.
Xu J; Wang L; Wang L; Shen X; Xu W
J Comput Chem; 2011 Nov; 32(15):3241-52. PubMed ID: 21837634
[TBL] [Abstract][Full Text] [Related]
5. QSPR study on the bioconcentration factors of nonionic organic compounds in fish by characteristic root index and semiempirical molecular descriptors.
Saçan MT; Erdem SS; Ozpinar GA; Balcioglu IA
J Chem Inf Comput Sci; 2004; 44(3):985-92. PubMed ID: 15154766
[TBL] [Abstract][Full Text] [Related]
6. QSPR study on Hydrophobicity of Pt(II) complexes with surface electrostatic potential-based descriptors.
Cui GY; Zou JW; Chen J; Hu GX; Jiang YJ; Huang M
J Mol Graph Model; 2022 Nov; 116():108256. PubMed ID: 35764021
[TBL] [Abstract][Full Text] [Related]
7. Quantitative structure-property relationship study of n-octanol-water partition coefficients of some of diverse drugs using multiple linear regression.
Ghasemi J; Saaidpour S
Anal Chim Acta; 2007 Dec; 604(2):99-106. PubMed ID: 17996529
[TBL] [Abstract][Full Text] [Related]
8. Reply to Comment by Sierra Rayne on "QSPR modeling of bioconcentration factor of nonionic compounds using Gaussian processes and theoretical descriptors derived from electrostatic potentials on molecular surface [Chemosphere 83 (2011) 1045-1052]".
Sang P; Zhou P; Xu L; Zou JW
Chemosphere; 2013 Sep; 93(2):449. PubMed ID: 23742894
[No Abstract] [Full Text] [Related]
9. Comment on "QSPR modeling of bioconcentration factor of nonionic compounds using Gaussian processes and theoretical descriptors derived from electrostatic potentials on molecular surface [Peng et al. Chemosphere 83 (2011) 1045-1052]".
Rayne S
Chemosphere; 2013 Sep; 93(2):448. PubMed ID: 23635533
[No Abstract] [Full Text] [Related]
10. Theoretical characterization of gas-liquid chromatographic stationary phases with quantum chemical descriptors.
Hoffmann EA; Fekete ZA; Rajkó R; Pálinkó I; Körtvélyesi T
J Chromatogr A; 2009 Mar; 1216(12):2540-7. PubMed ID: 19195662
[TBL] [Abstract][Full Text] [Related]
11. QSPR modeling bioconcentration factor (BCF) by balance of correlations.
Toropov AA; Toropova AP; Benfenati E
Eur J Med Chem; 2009 Jun; 44(6):2544-51. PubMed ID: 19232785
[TBL] [Abstract][Full Text] [Related]
12. A simple QSPR model for the prediction of the adsorbability of organic compounds onto activated carbon cloth.
Xu J; Zhu L; Fang D; Liu L; Bai Z; Wang L; Xu W
SAR QSAR Environ Res; 2013 Jan; 24(1):47-59. PubMed ID: 23066906
[TBL] [Abstract][Full Text] [Related]
13. Prediction of the hydrophobicity of platinum(IV) complexes based on molecular surface properties.
Zou JW; Cui GY; Huang M; Hu GX; Jiang YJ
J Inorg Biochem; 2021 Apr; 217():111373. PubMed ID: 33578249
[TBL] [Abstract][Full Text] [Related]
14. [QSPR studies on the physicochemical properties of polybrominated diphenyl ethers using theoretical descriptors derived from electrostatic potentials on molecular Surface].
Xu HY; Zhang JY; Wang YH; Li L
Huan Jing Ke Xue; 2008 Feb; 29(2):398-408. PubMed ID: 18613512
[TBL] [Abstract][Full Text] [Related]
15. Modeling and prediction of retention behavior of histidine-containing peptides in immobilized metal-affinity chromatography.
Tian F; Yang L; Lv F; Zhou P
J Sep Sci; 2009 Jun; 32(12):2159-69. PubMed ID: 19548218
[TBL] [Abstract][Full Text] [Related]
16. Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores.
Tetko IV; Solov'ev VP; Antonov AV; Yao X; Doucet JP; Fan B; Hoonakker F; Fourches D; Jost P; Lachiche N; Varnek A
J Chem Inf Model; 2006; 46(2):808-19. PubMed ID: 16563012
[TBL] [Abstract][Full Text] [Related]
17. Prediction of the aqueous solvation free energy of organic compounds by using autocorrelation of molecular electrostatic potential surface properties combined with response surface analysis.
Michielan L; Bacilieri M; Kaseda C; Moro S
Bioorg Med Chem; 2008 May; 16(10):5733-42. PubMed ID: 18406153
[TBL] [Abstract][Full Text] [Related]
18. Predicting the auto-ignition temperatures of organic compounds from molecular structure using support vector machine.
Pan Y; Jiang J; Wang R; Cao H; Cui Y
J Hazard Mater; 2009 May; 164(2-3):1242-9. PubMed ID: 18952371
[TBL] [Abstract][Full Text] [Related]
19. Quantitative structure-property relationship for predicting chlorine demand by organic molecules.
Luilo GB; Cabaniss SE
Environ Sci Technol; 2010 Apr; 44(7):2503-8. PubMed ID: 20230049
[TBL] [Abstract][Full Text] [Related]
20. QSPR study of absorption maxima of organic dyes for dye-sensitized solar cells based on 3D descriptors.
Xu J; Zhang H; Wang L; Liang G; Wang L; Shen X; Xu W
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jul; 76(2):239-47. PubMed ID: 20381412
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]