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24 ta ish

Ish: QSPR modeling of enthalpies of formation for organometallic compounds by SMART‐based optimal descriptors

  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. LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities

    David Vidal, Michael Thormann, Miquel Pons

    Maqola200512 iqtibos
    ABI

  5. QSAR modeling of acute toxicity by balance of correlations

    Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński

    Maqola200812 iqtibos
    ABI

  6. SMILES. 2. Algorithm for generation of unique SMILES notation

    David Weininger, Arthur Weininger, J. L. Weininger

    Maqola198911 iqtibos
    ABI

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

    Partha Pratim Roy, Kunal Roy

    Maqola20078 iqtibos
    ABI

  8. Optimisation of correlation weights of SMILES invariants for modelling oral quail toxicity

    Andrey A. Toropov, Emilio Benfenati

    Maqola20068 iqtibos
    ABI

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

    Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki +1

    Maqola20087 iqtibos
    ABI

  10. Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model

    Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3

    MaqolaOchiq kirish20066 iqtibos
    ABI

  11. 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

  12. SMILES in QSPR/QSAR Modeling: Results and Perspectives

    Andrey A. Toropov, Emilio Benfenati

    MaqolaComputational Drug Discovery MethodsCurrent Drug Discovery Technologies20075 iqtibos
    ABI

  13. New QSPR study for the prediction of aqueous solubility of drug-like compounds

    Pablo R. Duchowicz, Alan Talevi, Luis E. Bruno‐Blanch +1

    Maqola20085 iqtibos
    ABI

  14. Partial Order Ranking for the aqueous toxicity of aromatic mixtures

    Pablo R. Duchowicz, Martín G. Vitale, Eduardo A. Castro

    MaqolaOchiq kirish20075 iqtibos
    ABI

  15. Additive SMILES based optimal descriptors: QSPR modeling of fullerene C60 solubility in organic solvents

    Andrey A. Toropov, Bakhtiyor Rasulev, Danuta Leszczyńska +1

    Maqola20074 iqtibos
    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

    Maqola20074 iqtibos
    ABI

  17. QSAR modeling for lipid peroxidation inhibition potential of flavonoids using topological and structural parameters

    Supratim Ray, Chandana Sengupta, Kunal Roy

    MaqolaOchiq kirish20083 iqtibos
    ABI

  18. QSTR with Extended Topochemical Atom Indices. 10. Modeling of Toxicity of Organic Chemicals to Humans Using Different Chemometric Tools

    Kunal Roy, Gopinath Ghosh

    Maqola20083 iqtibos
    ABI

  19. Atom-based non-stochastic and stochastic bilinear indices: Application to QSPR/QSAR studies of organic compounds

    Juan A. Castillo‐Garit, Oscar Martínez‐Santiago, Yovani Marrero‐Ponce +2

    Maqola20082 iqtibos
    ABI

  20. QSPR modeling for enthalpies of formation of organometallic compounds by means of SMILES-based optimal descriptors

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

    Maqola20082 iqtibos
    ABI

  21. Comparison of QSPR Models Based on Hydrogen-Filled Graphs and on Graphs of Atomic Orbitals

    Andrey A. Toropov, Alla P. Toropova, İvan Gutman

    MaqolaOchiq kirishComputational Drug Discovery MethodsUniversity of Zagreb University Computing Centre (SRCE)20052 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI