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Иш: Building Up QSPR for Polymers Endpoints by Using SMILES-Based Optimal Descriptors

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

    David Weininger

    Мақола198819 иқтибос
    ABI

  2. Refractive indices of diverse data set of polymers: A computational QSPR based study

    Farukh Jabeen, Min Chen, Bakhtiyor Rasulev +2

    Мақола20177 иқтибос
    ABI

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

    Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3

    Мақола20065 иқтибос
    ABI

  4. On computation of optimal parameters for multivariate analysis of structure‐property relationship

    Milan Randić

    Мақола19915 иқтибос
    ABI

  5. Applying the Monte Carlo technique to build up models of glass transition temperatures of diverse polymers

    Andrey A. Toropov, Alla P. Toropova, В. О. Кудышкин +2

    МақолаAdsorption, diffusion, and thermodynamic properties of materialsStructural Chemistry20204 иқтибос
    ABI

  6. QSPR studies on refractive indices of structurally heterogeneous polymers

    Pablo R. Duchowicz, Silvina E. Fioressi, Daniel E. Bacelo +3

    Мақола20144 иқтибос
    ABI

  7. Quantitative Structure−Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers

    Alan R. Katritzky, Sulev Sild, Victor S. Lobanov +1

    Мақола19983 иқтибос
    ABI

  8. QSPR Modeling of the Refractive Index for Diverse Polymers Using 2D Descriptors

    Pathan Mohsin Khan, Bakhtiyor Rasulev, Kunal Roy

    Мақола20183 иқтибос
    ABI

  9. A Refractive Index Study of a Diverse Set of Polymeric Materials by QSPR with Quantum-Chemical and Additive Descriptors

    Meade Erickson, Marvellous Ngongang, Bakhtiyor Rasulev

    Мақола20203 иқтибос
    ABI

  10. Polymer informatics: Expert-in-the-loop in QSPR modeling of refractive index

    Santiago A. Schustik, Fiorella Cravero, Ignacio Ponzoni +1

    Мақола20213 иқтибос
    ABI

  11. A review of micromechanics based models for effective elastic properties of reinforced polymer matrix composites

    Benjamin Raju, S. R. Hiremath, D. Roy Mahapatra

    Шарҳ мақола20183 иқтибос
    ABI

  12. Polymer in Agriculture: a Review

    Francesco Puoci, Francesca Iemma, Umile Gianfranco Spizzirri +3

    Шарҳ мақола20083 иқтибос
    ABI

  13. Correlation and Prediction of the Refractive Indices of Polymers by QSPR

    Alan R. Katritzky, Sulev Sild, Mati Karelson

    Мақола19982 иқтибос
    ABI

  14. Linear and nonlinear QSPR models to predict refractive indices of polymers from cyclic dimer structures

    Jie Xu, Hao Liang, Biao Chen +3

    Мақола20082 иқтибос
    ABI

  15. Prediction of Solubility Parameters for Polymers by a QSPR Model

    Xinliang Yu, Xueye Wang, Hanlu Wang +2

    Мақола20052 иқтибос
    ABI

  16. Prediction of refractive indices of linear polymers by a four-descriptor QSPR model

    Jie Xu, Biao Chen, Qijin Zhang +1

    Мақола20042 иқтибос
    ABI

  17. Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions

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

    Мақола20092 иқтибос
    ABI

  18. Prediction of Thermal Decomposition Temperature of Polymers Using QSPR Methods

    Davood Ajloo

    Мақола20082 иқтибос
    ABI

  19. QSPR prediction of thermal decomposition property of non-vinyl polymers having α-amino acids moieties

    Shadpour Mallakpour, Mehdi Hatami, Hassan Golmohammadi

    Мақола20132 иқтибос
    ABI

  20. Application of QSPR to Binary Polymer/Solvent Mixtures: Prediction of Flory‐Huggins Parameters

    Jie Xu, Hongtao Liu, Wenbin Li +2

    Мақола20082 иқтибос
    ABI

  21. The anesthetic action of some polyhalogenated ethers—Monte Carlo method based QSAR study

    Mlađjan Golubović, Milan Lazarević, Dragan Zlatanović +6

    Мақола20182 иқтибос
    ABI

  22. The index of ideality of correlation: hierarchy of Monte Carlo models for glass transition temperatures of polymers

    Alla P. Toropova, Andrey A. Toropov, Danuta Leszczyńska +1

    Мақола20182 иқтибос
    ABI

  23. Does the Index of Ideality of Correlation Detect the Better Model Correctly?

    Alla P. Toropova, Andrey A. Toropov

    Мақола20192 иқтибос
    ABI

  24. Prediction of the Glass Transition Temperature of Multicyclic and Bulky Substituted Acrylate and Methacrylate Polymers Using the Energy, Volume, Mass (EVM) QSPR Model

    Christopher C. Cypcar, Philippe Camelio, Véronique Lazzeri +2

    Мақола19962 иқтибос
    ABI

  25. Evaluation of hierarchical structured representations for QSPR studies of small molecules and polymers by recursive neural networks

    ‪Carlo Bertinetto‬, Celia Duce, Alessio Micheli +3

    Мақола20082 иқтибос
    ABI