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Computational Drug Discovery Methods

Работ: 186

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

    Tommaso Forni, Matteo Baldoni, Fabio Le Piane +1

    СтатьяMachine Learning in Materials ScienceScientific Reports2024Цитирований: 0
    ABI

  2. SVM-ERFE: An Enhanced Method for Identification of Metastatic and Relapsing Nature of Breast Cancer

    Abhijit Kumar, Sumit Kumar, Kévin Riou +3

    СтатьяMachine Learning in Bioinformatics2024Цитирований: 0
    ABI

  3. Comparative analysis of QSAR feature selection methods

    Rifkat Davronov, Samariddin Kushmuratov

    СтатьяComputational Drug Discovery MethodsAIP conference proceedings2024Цитирований: 0
    ABI

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

    Muhammad Shahzad, Ruhal Lohana, Khursheed Aurangzeb +5

    СтатьяComputational Drug Discovery MethodsInternational Journal of Imaging Systems and Technology2024Цитирований: 0
    ABI

  5. The concept of complexity and nanoscience

    Б. Л. Оксенгендлер, А Х Аширметов, N. N. Turaeva +6

    СтатьяComputational Drug Discovery MethodsAIP conference proceedings2024Цитирований: 0
    ABI

  6. Similarity Analysis of Computer-Generated and Commercial Libraries for Targeted Biocompatible Coded Amino Acid Replacement

    Markus Meringer, Gerardo M. Casañola‐Martín, Bakhtiyor Rasulev +1

    СтатьяChemical Synthesis and AnalysisInternational Journal of Molecular Sciences2024Цитирований: 0
    ABI

  7. Computerized Molecular Docking for the Computational Binding Efficiency of PET Radiotracers:A Comprehensive Workflow

    Abraham P. Lee, Thomas Werner, Abass Alavi +2

    СтатьяComputational Drug Discovery MethodsUniversity of Southern Denmark Research Portal (University of Southern Denmark)2024Цитирований: 0
    ABI

  8. GALOGEN O‘RINBOSARLAR SAQLAGAN ATSETILEN SPIRTLARINI OKSIDLASH ASOSIDA KETONLAR SINTEZI

    Санъат САМАТОВ, Одилжон ЗИЯДУЛЛАЕВ, Саида АБДУРАХМАНОВА +2

    СтатьяSynthesis of β-Lactam CompoundsŬzMU habarlari.2024Цитирований: 0
    ABI

  9. RETRACTED: Voltammetry in the pharmaceutical analysis: A review

    Sergey Aronbaev, Dmitry Aronbaev, D.Z. Isakova

    Обзорная статьяAdvanced Chemical Sensor TechnologiesBIO Web of Conferences2024Цитирований: 0
    ABI

  10. 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

    СтатьяComputational Drug Discovery MethodsJournal of Applied Toxicology2025Цитирований: 0
    ABI

  11. Universal data-driven models to estimate the solubility of anti-cancer drugs in supercritical carbon dioxide: Correlation development and machine learning modeling

    Farag M. A. Altalbawy, Nadhir N.A. Jafar, Dharmesh Sur +10

    СтатьяPhase Equilibria and ThermodynamicsJournal of CO2 Utilization2025Цитирований: 0
    ABI

  12. A robust and interpretable graph neural network-based protocol for predicting p-glycoprotein substrates

    Kuang-Cheng Hsu, Peihua Wang, Bo‐Han Su +1

    СтатьяComputational Drug Discovery MethodsBriefings in Bioinformatics2025Цитирований: 0
    ABI

  13. Computational Analysis of Benzenoid Systems Using Valency‐Based Entropy Metrics and Topological Indices

    Muhammad Kamran, Muhammad Nadeem, Manal Elzain Mohamed Abdalla +2

    СтатьяGraph theory and applicationsComplexity2025Цитирований: 0
    ABI

  14. Preparation of AuSe-BNPs/CFME and its high-sensitivity simultaneous detection of caffeic acid and dihydrotanshinone I

    Han Cheng, Yanbing Pan, Tao FANG +7

    СтатьяComputational Drug Discovery MethodsChemical Engineering Journal2025Цитирований: 0
    ABI

  15. Machine learning estimation and optimization for evaluation of pharmaceutical solubility in supercritical carbon dioxide for improvement of drug efficacy

    Hadil Faris Alotaibi, Chou‐Yi Hsu, Fadhil Faez Sead +7

    СтатьяComputational Drug Discovery MethodsScientific Reports2025Цитирований: 0
    ABI

  16. Identification of Phytochemicals as Promising GSK-3β Inhibitors for Cancer Therapeutic Potential Through Virtual Screening, Molecular Docking, MD Simulation and MM-PBSA Calculation

    Mohamed J. Saadh, Wael Sheet Hussein, Karar H. Alfarttoosi +10

    СтатьяComputational Drug Discovery MethodsJournal of Computational Biophysics and Chemistry2025Цитирований: 0
    ABI

  17. MOLECULAR-GENETIC CHARACTERIZATION OF THE SPECIES ERYX MILIARIS (SQUAMATA: BOIDAE) DISTRIBUTED IN UZBEKISTAN

    Abdurakhim Kuchboev, Oybek Amirov, A.A. Yuldoshkhonov

    СтатьяAnimal Diversity and Health StudiesBIOLOGICAL SCIENCES OF KAZAKHSTAN2025Цитирований: 0
    ABI

  18. Simulation peptide toxicity using the fragments of local symmetry in amino acid sequences

    Andrey A. Toropov, Alla P. Toropova, В. О. Кудышкин +3

    СтатьяFractal and DNA sequence analysisBiosystems2025Цитирований: 0
    ABI

  19. The Identification of Gyrophoric Acid, a Phytochemical Derived from Lichen, as a Potent Inhibitor for Aggregation of Amyloid Beta Peptide: In Silico and Biochemical Evaluation

    Meixia Yang, Haitao Hu, Jin Gao +6

    СтатьяComputational Drug Discovery MethodsInternational Journal of Molecular Sciences2025Цитирований: 0
    ABI

  20. Design, synthesis, and evaluation of novel quinazoline derivatives as potent EGFR inhibitors: In silico and in vitro approaches

    Mohamed J. Saadh, Tamara Nazar Saeed, Karar H. Alfarttoosi +9

    СтатьяQuinazolinone synthesis and applicationsComputers in Biology and Medicine2025Цитирований: 0
    ABI

  21. Robust classification frameworks for oxide nanomaterials assisted by machine learning

    Wei Ju, Usama S. Altimari, Raman Kumar +9

    СтатьяNanoparticles: synthesis and applicationsChemical Papers2025Цитирований: 0
    ABI

  22. INTEGRATION OF ARTIFICIAL INTELLIGENCE AND NATURAL COMPOUNDS IN DRUG DEVELOPMENT

    Kuriyazova, Saodat, Muzaparov, Azizbek

    СтатьяComputational Drug Discovery MethodsZenodo (CERN European Organization for Nuclear Research)2025Цитирований: 0
    ABI

  23. INTEGRATION OF ARTIFICIAL INTELLIGENCE AND NATURAL COMPOUNDS IN DRUG DEVELOPMENT

    Kuriyazova, Saodat, Muzaparov, Azizbek

    СтатьяComputational Drug Discovery MethodsZenodo (CERN European Organization for Nuclear Research)2025Цитирований: 0
    ABI

  24. Innovative Approaches in Drug Discovery by Leveraging Molecular Ecology for the Identification of Novel Therapeutics

    Izzatilla Khaydarov

    СтатьяMetabolomics and Mass Spectrometry StudiesNatural and Engineering Sciences2025Цитирований: 0
    ABI

  25. Guided Ensemble Stacking Method for Predicting Biological Activities of Compounds

    Azar Shamloo, Jack A. Tuszyński, Yun K. Tam +1

    СтатьяComputational Drug Discovery MethodsChemical Biology & Drug Design2025Цитирований: 0
    ABI