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30 ta ish

Ish: Application of monomer structures and fragments of local symmetry for simulation of glass transition temperatures of polymers

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

    David Weininger

    Maqola198824 iqtibos
    ABI

  2. 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

    MaqolaAdsorption, diffusion, and thermodynamic properties of materialsStructural Chemistry20204 iqtibos
    ABI

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

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

    Maqola19983 iqtibos
    ABI

  4. Modeling of Glass Transition Temperatures for Polymeric Coating Materials: Application of QSPR Mixture‐based Approach

    Lyudvig S. Petrosyan, Natalia Sizochenko, Jerzy Leszczyński +1

    Maqola20193 iqtibos
    ABI

  5. Support vector machine-based QSPR for the prediction of glass transition temperatures of polymers

    Xinliang Yu

    Maqola20102 iqtibos
    ABI

  6. Predicting glass transition of amorphous polymers by application of cheminformatics and molecular dynamics simulations

    Anas Karuth, Amirhadi Alesadi, Wenjie Xia +1

    MaqolaOchiq kirish20212 iqtibos
    ABI

  7. 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

    Maqola19962 iqtibos
    ABI

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

    ‪Carlo Bertinetto‬, Celia Duce, Alessio Micheli +3

    Maqola20082 iqtibos
    ABI

  9. Encoding alternatives for the prediction of polyacrylates glass transition temperature by quantitative structure–property relationships

    Andrew G. Mercader, Pablo R. Duchowicz

    Maqola20162 iqtibos
    ABI

  10. QSPR modelling for intrinsic viscosity in polymer–solvent combinations based on density functional theory

    Su Wang, Menghui Cheng, Lu Zhou +3

    Maqola20212 iqtibos
    ABI

  11. Artificial Neural Network Modeling of Glass Transition Temperatures for Some Homopolymers with Saturated Carbon Chain Backbone

    Elena‐Luiza Epure, Sîziana Diana Oniciuc, Nicolae Hurduc +1

    Maqola20212 iqtibos
    ABI

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  24. Building Up QSPR for Polymers Endpoints by Using SMILES-Based Optimal Descriptors

    В. О. Кудышкин, Alla P. Toropova

    BobOchiq kirishComputational Drug Discovery MethodsChallenges and advances in computational chemistry and physics20231 iqtibos
    ABI

  25. Sarlavhasiz

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