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Computational Drug Discovery Methods

186 ta ish

  1. Deep Learning for Predicting Drug-Drug Interactions and Patient Safety in Dental Clinical Trials

    Niladri Maiti, Riddhi Chawla, Babacar Toure +2

    MaqolaMachine Learning in Healthcare20250 iqtibos
    ABI

  2. AI-Driven Drug Discovery: Accelerating the Path to New Therapies

    Khamza Khamrayev

    MaqolaArtificial Intelligence in Healthcare and Education20250 iqtibos
    ABI

  3. Large Language Models-guided Agentic Discovery of Imaging-informed Pharmacodynamic Models for Predicting Hematological Toxicity from Radioligand Therapy

    Romain Ferrara, Victor Gertner, Adil Moussali +7

    PreprintComputational Drug Discovery MethodsHAL (Le Centre pour la Communication Scientifique Directe)20250 iqtibos
    ABI

  4. Synergism or mirage: Current progress and an empirical approach for elucidating combination drug effects

    Paola Vottero, Jack A. Tuszyński, Yun K. Tam +1

    Sharh maqolaComputational Drug Discovery MethodsDrug Discovery Today20250 iqtibos
    ABI

  5. Acalypha indica: A comprehensive review of its natural compounds, and traditional medicine applications in COVID-19 management

    Soumya Ghosh, Jovana Vunduk, Norfaizah Mahmud +8

    Sharh maqolaDrug-Induced Hepatotoxicity and ProtectionPharmacological Research - Natural Products20250 iqtibos
    ABI

  6. Regression-based analysis of topological indices in simple molecular graphs of anti-HIV drug compounds

    Yasir Bashir, Bilal A. Chat, Bilal Ahmad Rather

    MaqolaGraph theory and applicationsThe Journal of Supercomputing20260 iqtibos
    ABI

  7. Artificial intelligence predictive models in nanoparticle analysis for cancer targeted therapy: A systematic review

    Sara Rahmani, Solmaz Sohrabei, Elham Nazari +4

    MaqolaComputational Drug Discovery MethodsNano TransMed20260 iqtibos
    ABI

  8. Deciphering enzyme inhibition of thiazole assemblies for diabetes management via molecular docking, dynamic simulation, DFT and kinetic study: A computational therapeutic strategy

    Uthman Alghamdi, Shoaib Khan, Tayyiaba Iqbal +6

    MaqolaComputational Drug Discovery MethodsComputational Biology and Chemistry20260 iqtibos
    ABI

  9. Prediction of gas chromatographic retention times of narcotic and hazardous drugs in blood using QSRR and machine learning models

    Mohamed Abu Shuheil, Ahmed Aldulaimi, Subhashree Ray +6

    MaqolaComputational Drug Discovery MethodsRSC Advances20260 iqtibos
    ABI

  10. Predicting Side Effects of Drug Reactions Using Machine Learning and Graph Neural Network

    V. Rekha, B. Syed Moinuddin Bokhari, Erkin Kholiyarov +4

    MaqolaPharmacovigilance and Adverse Drug Reactions20260 iqtibos
    ABI

  11. Repurposing Existing Drugs For Dual Treatment of Alzheimer'S Disease and Type 2 Diabetes Mellitus: A Network Pharmacology Approach

    ASKAROV Ibragim Rakhmanovich, Mahliyo Anvarova Ma'rufjon qizi, Khamroeva Lola Rizoyevna +3

    MaqolaNatural Antidiabetic Agents StudiesInternational Journal of Drug Delivery Technology20260 iqtibos
    ABI