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Machine Learning in Materials Science

120 ta ish

  1. Model of high-T c superconductivity in low-coordination semiconductors and polymers

    B. P. Popov, K. D. Tséndin

    MaqolaPhase-change materials and chalcogenidesTechnical Physics Letters19980 iqtibos
    ABI

  2. Neutron-diffraction analysis of titanium carbide fibers and microtubes formed by self-propagating high temperature synthesis reaction

    Yong Choi, Myung-Whan Hwang, J.S. Lee +1

    Maqolananoparticles nucleation surface interactionsApplied Physics A20020 iqtibos
    ABI

  3. Studies around A similar to 100 using binary reactions

    P. H. Regan, A. Yamamoto, Changlong Wu +18

    MaqolaOrigins and Evolution of LifeResearch Explorer (The University of Manchester)20030 iqtibos
    ABI

  4. Qspr Modeling Organic Compounds Gibb's Free Energy by Weighting of Nearest Neighboring Codes

    Eduardo A. Castro, Alla P. Toropova, Andrey A. Toropov +1

    MaqolaComputational Drug Discovery MethodsSSRN Electronic Journal20030 iqtibos
    ABI

  5. QSPR modeling of the flory-huggins parameter in terms of polymer "nanosegments"

    I. N. Ruban, Andrey A. Toropov, И. Н. Нургалиев +2

    MaqolaMachine Learning in Materials SciencePolymer Science Series B20050 iqtibos
    ABI

  6. QSPR MODELING OF METAL HALIDES LATTICE ENTHALPIES

    Eduardo A. Castro, Alla P. Toropova, Andrey A. Toropov +1

    MaqolaComputational Drug Discovery MethodsAnales De La Asociacion Quimica Argentina20060 iqtibos
    ABI

  7. Monte Carlo simulation in the reaction rate's calculation with neutron-activation method

    Wang Dalun

    MaqolaNuclear Physics and ApplicationsChinese Journal of Nuclear Science and Engineering20070 iqtibos
    ABI

  8. QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors

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

    MaqolaComputational Drug Discovery MethodsMolecular Diversity20090 iqtibos
    ABI

  9. QSAR modelling of the toxicity to Tetrahymena pyriformis by balance of correlations

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +1

    MaqolaComputational Drug Discovery MethodsMolecular Diversity20090 iqtibos
    ABI

  10. InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance

    Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +2

    MaqolaComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20100 iqtibos
    ABI

  11. Activation Energy Calculations for Formamide–TiO2 and Formamide–Pt Interactions in the Presence of Water

    Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka

    MaqolaMolecular Junctions and NanostructuresThe Open Biochemistry Journal20130 iqtibos
    ABI

  12. Sensitivity Analysis for a PEM Fuel Cell Model aimed to Optimization

    Enrico Testa, Paolo Maggiore, Lorenzo Pace +1

    MaqolaFuel Cells and Related MaterialsPORTO Publications Open Repository TOrino (Politecnico di Torino)20150 iqtibos
    ABI

  13. Neutron diffraction study of dehydrogenation of titanium carbohydrides TiC x H y

    I. Khidirov

    MaqolaX-ray Diffraction in CrystallographyRussian Journal of Inorganic Chemistry20170 iqtibos
    ABI

  14. Predicting the activity and properties of chemicals based on RoBERTa

    Davronov Rifqat Rahimovich, Safarov Ro'zmat Abdiqayum O'g'li, Abdumalikov Shoxrux Qaxramon O'g'li

    MaqolaComputational Drug Discovery Methods2021 International Conference on Information Science and Communications Technologies (ICISCT)20210 iqtibos
    ABI

  15. Application of transformer model architecture in the new drugs design

    Davronov Rifqat Rahimovich, Abdumalikov Shoxrux Qaxramon O'g'li, Safarov Ro'zmat Abdiqayum O'g'li

    MaqolaComputational Drug Discovery Methods2021 International Conference on Information Science and Communications Technologies (ICISCT)20210 iqtibos
    ABI

  16. Generative Pre-Training from Molecules

    Sanjar Adilov

    PreprintMachine Learning in Materials ScienceChemRxiv20210 iqtibos
    ABI

  17. Generative Pre-Training from Molecules

    Sanjar Adilov

    PreprintMachine Learning in Materials Science20210 iqtibos
    ABI

  18. (Digital Presentation) Highly Efficient and Selective CO<sub>2</sub> Electroreduction to CO on Novel Metal-Nitrogen-Carbon (M-N-C) Catalyst

    Laurent Delafontaine, Alessio Cosenza, Eamonn Murphy +4

    MaqolaCO2 Reduction Techniques and CatalystsECS Meeting Abstracts20220 iqtibos
    ABI

  19. Main concepts and applications of DFTB approach

    Elyor Berdimurodov, Lei Guo, Abduvali Kholikov +2

    BobAdvanced Chemical Physics StudiesElsevier eBooks20230 iqtibos
    ABI

  20. Structure to Property: Machine Learning Methods for Predicting Electronic Properties of Crystals

    Shokirbek Shermukhamedov, Dilorom Mamurjonova, Thana Maihom +1

    PreprintMachine Learning in Materials ScienceChemRxiv20230 iqtibos
    ABI

  21. Integrating high-performance computing, machine learning, data management workflows, and infrastructures for multiscale simulations and nanomaterials technologies

    Fabio Le Piane, Mario Vozza, Matteo Baldoni +1

    MaqolaMachine Learning in Materials ScienceBeilstein Journal of Nanotechnology20240 iqtibos
    ABI

  22. Enhancing Energy Efficiency and Classification Modeling Through a Combined Approach of LightGBM and Stratified KFold Cross-Validation

    Sushma Kakkar, A. Lakshmi, Anand Deva Durai C +6

    MaqolaMachine Learning in Materials ScienceElectric Power Components and Systems20240 iqtibos
    ABI

  23. GrapheNet: a deep learning framework for predicting the physical and electronic properties of nanographenes using images

    Tommaso Forni, Matteo Baldoni, Fabio Le Piane +1

    MaqolaMachine Learning in Materials ScienceScientific Reports20240 iqtibos
    ABI

  24. Theory of size quantization in monolayers of transition metal dichalcogenides

    Voxob Rustamovich Rasulov, Rustam Yavkachovich Rasulov, Mardonbek Kh. Nasirov +2

    Maqola2D Materials and ApplicationsPhysica Scripta20240 iqtibos
    ABI

  25. Identification of biological markers in cancer disease using explainable artificial intelligence

    Muhammad Shahzad, Ruhal Lohana, Khursheed Aurangzeb +5

    MaqolaComputational Drug Discovery MethodsInternational Journal of Imaging Systems and Technology20240 iqtibos
    ABI