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23 ta ish

Ish: InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance

  1. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

    David Weininger

    Maqola198824 iqtibos
    ABI

  2. Beware of q2!

    Alexander Golbraikh, Alexander Tropsha

    Maqola200213 iqtibos
    ABI

  3. SMILES. 3. DEPICT. Graphical depiction of chemical structures

    David Weininger

    Maqola199013 iqtibos
    ABI

  4. QSAR modeling of acute toxicity by balance of correlations

    Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński

    Maqola200812 iqtibos
    ABI

  5. On Some Aspects of Variable Selection for Partial Least Squares Regression Models

    Partha Pratim Roy, Kunal Roy

    Maqola20078 iqtibos
    ABI

  6. QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners

    Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki +1

    Maqola20087 iqtibos
    ABI

  7. A Novel QSAR Model for Evaluating and Predicting the Inhibition Activity of Dipeptidyl Aspartyl Fluoromethylketones

    Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3

    MaqolaOchiq kirish20066 iqtibos
    ABI

  8. The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy)

    Stephen R. Johnson

    Boshqa20075 iqtibos
    ABI

  9. Quantitative structure–pharmacokinetic relationship modelling

    Marie-Odile Fouchécourt, Martin Béliveau, Kannan Krishnan

    Maqola20015 iqtibos
    ABI

  10. Multiple Linear Regression Analysis and Optimal Descriptors: Predicting the Cholesteryl Ester Transfer Protein Inhibition Activity

    Bakhtiyor Rasulev, Andrey A. Toropov, Ashton T. Hamme +1

    Maqola20074 iqtibos
    ABI

  11. Quantitative structure-activity relationship studies: β-adrenergic blocking activity of 1-(2,4-disubstituted phenoxy)-3-aminopropan-2-ols

    VK Gombar, VK Kapoor

    Maqola19904 iqtibos
    ABI

  12. 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification

    Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Eduardo A. Castro +2

    Maqola20084 iqtibos
    ABI

  13. The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study

    V. Е. Kuz’min, Eugene Muratov, A. G. Artemenko +3

    Maqola20084 iqtibos
    ABI

  14. QSAR: dead or alive?

    Arthur M. Doweyko

    MaqolaOchiq kirish20083 iqtibos
    ABI

  15. 3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitors

    Serdar Durdağı, Thomas Mavromoustakos, Μάνθος Γ. Παπαδόπουλος

    Maqola20082 iqtibos
    ABI

  16. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations

    Serdar Durdağı, Thomas Mavromoustakos, Nikos Chronakis +1

    Maqola20082 iqtibos
    ABI

  17. QSAR Modelling for Mutagenic Potency of Heteroaromatic Amines by Optimal SMILES‐based Descriptors

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati

    Maqola20092 iqtibos
    ABI

  18. 3D-QSAR illusions

    Arthur M. Doweyko

    Maqola20042 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  20. Semi‐empirical topological index to predict properties of halogenated aliphatic compounds

    Anna Celia Silva Arruda, Berenice da Silva Junkes, Érica Silva Souza +2

    Maqola20082 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI