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Machine Learning in Materials Science

120 ta ish

  1. Escape Depth of Secondary and Photoelectrons from CdTe Films with a Ba Film

    Б. Е. Умирзаков, Д. А. Ташмухамедова, M. A. Tursunov +2

    MaqolaElectron and X-Ray Spectroscopy TechniquesTechnical Physics201912 iqtibos
    ABI

  2. DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6

    MaqolaAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20249 iqtibos
    ABI

  3. QSPR Modeling of Stability Constants of Coordination Compounds by Optimization of Correlation Weights of Local Graph Invariants

    Alla P. Toropova, Andrey A. Toropov, M. M. Ishankhodzhaeva +1

    MaqolaComputational Drug Discovery MethodsRussian Journal of Inorganic Chemistry20008 iqtibos
    ABI

  4. Study the application of pristine and Sn metal doped B2CN3 monolayer as an anode for Cs-ion battery

    Ali B.M. Ali, Abdulrahman T. Ahmed, Suranjana V. Mayani‎ +7

    MaqolaMXene and MAX Phase MaterialsJournal of Alloys and Compounds20254 iqtibos
    ABI

  5. Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

    Naveen Kosar, Tariq Mahmood, Abdulrahman Allangawi +2

    MaqolaMachine Learning in Materials ScienceInorganic Chemistry Communications20243 iqtibos
    ABI

  6. TabNet and TabTransformer: Novel Deep Learning Models for Chemical Toxicity Prediction in Comparison With Machine Learning

    Firas Mahmood Mustafa, Ali Fawzi Al‐Hussainy, Hardik Doshi +10

    MaqolaComputational Drug Discovery MethodsJournal of Applied Toxicology20253 iqtibos
    ABI

  7. Transition metal-functionalized hexagonal bipyramidal boron clusters as high-performance electrocatalysts for hydrogen evolution reaction: A DFT study

    Chou‐Yi Hsu, Ali B.M. Ali, Zainab H. Jamal +7

    MaqolaElectrocatalysts for Energy ConversionInternational Journal of Hydrogen Energy20253 iqtibos
    ABI

  8. Optimizing membrane reactor structures for enhanced hydrogen yield in CH4 tri-reforming: Insights from sensitivity analysis and machine learning approaches

    Mohammadali Nasrabadi, Agus Dwi Anggono, Lidia Sergeevna Budovich +2

    MaqolaOchiq kirishCatalysts for Methane ReformingInternational Journal of Thermofluids20242 iqtibos
    ABI

  9. Formation Onset of Flat-Perylene Prenucleation Clusters in Vacuum

    Dilfuza Husanova, Jurat Ochilov, Umedjon Khalilov

    MaqolaCrystallography and molecular interactionsChemical Physics20242 iqtibos
    ABI

  10. QSPR Modeling of the Reactivity Parameters of Monomers in Radical Copolymerizations

    Andrey A. Toropov, В. О. Кудышкин, Н. Л. Воропаева +2

    MaqolaComputational Drug Discovery MethodsJournal of Structural Chemistry20042 iqtibos
    ABI

  11. Comparison of the molecular descriptors efficiency in modeling the structure-activity relationship

    Fatima Adilova, Bakhtiyor Rasulev, Rifkat Davronov

    MaqolaComputational Drug Discovery Methods2019 International Conference on Information Science and Communications Technologies (ICISCT)20192 iqtibos
    ABI

  12. Taking account of the interfering effect of a competing reaction in neutron-activation analysis

    S. Mukhammedov, Jurabek Khushvaktov, E. G. Barsukova +1

    MaqolaNuclear Physics and ApplicationsAtomic Energy20101 iqtibos
    ABI

  13. A comparative analysis of the ensemble methods for drug design

    Rifkat Davronov, Fatima Adilova

    MaqolaComputational Drug Discovery MethodsAIP conference proceedings20211 iqtibos
    ABI

  14. Structure to Property: Chemical Element Embeddings for Predicting Electronic Properties of Crystals

    Shokirbek Shermukhamedov, Dilorom Mamurjonova, Thana Maihom +1

    MaqolaOchiq kirishMachine Learning in Materials ScienceJournal of Chemical Information and Modeling20241 iqtibos
    ABI

  15. Exploring transition metal-based electrocatalysts for carbon dioxide reduction: Towards enhanced product

    Narinderjit Singh Sawaran Singh, Maher Ali Rusho, Akmal Abilkasimov +8

    MaqolaCO2 Reduction Techniques and CatalystsChemical Physics Letters20251 iqtibos
    ABI

  16. Computational analysis of Wollastonite graph structure via machine learning techniques

    Bilal Ahmad Rather

    MaqolaMachine Learning in Materials ScienceThe Journal of Supercomputing20251 iqtibos
    ABI

  17. Metal–Organic Frameworks with a Crystal System Switch for Optical Tuning

    Vladimir P. Shirobokov, Irina D. Yushina, Yuri A. Mezenov +1

    MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsCrystal Growth & Design20251 iqtibos
    ABI

  18. Assessing a B12C12 nanocage for the pyrazinamide drug adsorption along with DFT insights for providing drug up-take platforms

    Chou‐Yi Hsu, Hadil Faris Alotaibi, Shahad Mohammed Dhiaa Younis +3

    MaqolaBoron and Carbon Nanomaterials ResearchJournal of the Indian Chemical Society20251 iqtibos
    ABI

  19. Molecular Mechanisms of Thiourea in FAPbI3 Perovskites: Phase Stabilization and Defect Passivation

    I. N. Nurgaliev, M. B. Marasulov, Z. N. Zhulliev +2

    MaqolaPerovskite Materials and ApplicationsJournal of Structural Chemistry20251 iqtibos
    ABI

  20. Accelerating single-atom ORR catalyst discovery through theory and machine learning: a critical review

    Anuj Kumar, Parth Bishnoi, Akshay Parmar +3

    MaqolaOchiq kirishElectrocatalysts for Energy ConversionCoordination Chemistry Reviews20261 iqtibos
    ABI

  21. QSPR-modeling of oligophenylene melting points

    И. Н. Нургалиев, Andrey A. Toropov, В. О. Кудышкин +3

    MaqolaComputational Drug Discovery MethodsJournal of Structural Chemistry20061 iqtibos
    ABI

  22. 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

  23. SYNTHESIS AND STUDY OF THE NANOCOMPOSITE MNO2/C

    Dmitry Aronbaev, Sergey Aronbaev, Gavkhar Narmaeva +1

    MaqolaBoron and Carbon Nanomaterials ResearchAustrian Journal of Technical and Natural Sciences20201 iqtibos
    ABI

  24. Residual photoconductivity in boron monocrystals

    K.B. Gulyamov, Alisher Muminov

    MaqolaBoron and Carbon Nanomaterials ResearchJournal of the Less Common Metals19790 iqtibos
    ABI

  25. The influence of the electric field on the structure of boron films

    G. V. PANTELEEVA, V.V. Morozkin

    MaqolaBoron and Carbon Nanomaterials ResearchJournal of the Less Common Metals19790 iqtibos
    ABI