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16 ta ish

Ish: SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correlations with ideal slopes

  1. Beware of q2!

    Alexander Golbraikh, Alexander Tropsha

    Maqola200213 iqtibos
    ABI

  2. Calculation of pK values of flavylium salts from the optimization of correlation weights of local graph invariants

    Pablo J. Peruzzo, Damián Marino, Eduardo A. Castro +1

    Maqola20019 iqtibos
    ABI

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

    Partha Pratim Roy, Kunal Roy

    Maqola20078 iqtibos
    ABI

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

    Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki +1

    Maqola20087 iqtibos
    ABI

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

    Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3

    MaqolaOchiq kirish20066 iqtibos
    ABI

  6. 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

  7. Optimal Molecular Descriptors Based on Weighted Path Numbers

    Milan Randić, Subhash C. Basak

    Maqola19995 iqtibos
    ABI

  8. 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

  9. The Vertex-Connectivity Index Revisited

    Dragan Amić, Drago Bešlo, Bono Lučić +2

    Maqola19984 iqtibos
    ABI

  10. QSAR Modeling of Peripheral<i>Versus</i>Central Benzodiazepine Receptor Binding Affinity of 2‐Phenylimidazo[1,2‐a]pyridineacetamides using Optimal Descriptors Calculated with SMILES

    Kunal Roy, Andrey A. Toropov, Ivan Raška

    MaqolaOchiq kirishComputational Drug Discovery MethodsQSAR & Combinatorial Science20063 iqtibos
    ABI

  11. QSAR of the testosterone binding globulin affinity by means of correlation weighting of local invariants of the graph of atomic orbitals

    Ivan Raška, Andrey A. Toropov

    MaqolaMolecular spectroscopy and chiralityBioorganic & Medicinal Chemistry20053 iqtibos
    ABI

  12. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  13. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  14. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  15. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  16. Sarlavhasiz

    Boshqa1 iqtibos
    ABI