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23 та иш

Иш: 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

    Мақола198819 иқтибос
    ABI

  2. Beware of q2!

    Alexander Golbraikh, Alexander Tropsha

    Мақола200211 иқтибос
    ABI

  3. QSAR modeling of acute toxicity by balance of correlations

    Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński

    Мақола20089 иқтибос
    ABI

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

    David Weininger

    Мақола19908 иқтибос
    ABI

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

    Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki +1

    Мақола20086 иқтибос
    ABI

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

    Partha Pratim Roy, Kunal Roy

    Мақола20075 иқтибос
    ABI

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

    Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3

    Мақола20065 иқтибос
    ABI

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

    Stephen R. Johnson

    Бошқа20074 иқтибос
    ABI

  9. 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

    Мақола20084 иқтибос
    ABI

  10. QSAR: dead or alive?

    Arthur M. Doweyko

    Мақола20083 иқтибос
    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

    Мақола19903 иқтибос
    ABI

  12. Quantitative structure–pharmacokinetic relationship modelling

    Marie-Odile Fouchécourt, Martin Béliveau, Kannan Krishnan

    Мақола20013 иқтибос
    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

    Мақола20083 иқтибос
    ABI

  14. 3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitors

    Serdar Durdağı, Thomas Mavromoustakos, Μάνθος Γ. Παπαδόπουλος

    Мақола20082 иқтибос
    ABI

  15. 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

    Мақола20082 иқтибос
    ABI

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

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

    Мақола20072 иқтибос
    ABI

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

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

    Мақола20092 иқтибос
    ABI

  18. 3D-QSAR illusions

    Arthur M. Doweyko

    Мақола20042 иқтибос
    ABI

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

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

    Мақола20082 иқтибос
    ABI

  20. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  21. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  22. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  23. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI