Computational Drug Discovery Methods

186 works

1. 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

   ArticleComputational Drug Discovery Methods2021 International Conference on Information Science and Communications Technologies (ICISCT)20210 citations

   ABIABI:AkademIndex/openalex/2021.article.001792

2. 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

   ArticleComputational Drug Discovery Methods2021 International Conference on Information Science and Communications Technologies (ICISCT)20210 citations

   ABIABI:AkademIndex/openalex/2021.article.002014

3. A Study of the Anticancer Activity against MCF-7 Cell Lines and Quantitative Structure-Activity Relationship Analysis on a Series of Compounds

   Durbek Usmanov, Bakhtiyor Rasulev, Sardor Narzullaev

   ArticleComputational Drug Discovery Methods20210 citations

   ABIABI:AkademIndex/openalex/2021.article.010535

4. Negative representability degree structures of linear orders with endomorphisms

   N. Kh. Kasymov, Sarvar Javliyev

   ArticleAdvanced Algebra and LogicBulletin of National University of Uzbekistan Mathematics and Natural Sciences20210 citations

   ABIABI:AkademIndex/openalex/2021.article.012705

5. Generative Pre-Training from Molecules

   Sanjar Adilov

   PreprintMachine Learning in Materials ScienceChemRxiv20210 citations

   ABIABI:AkademIndex/openalex/2021.preprint.000001

6. Generative Pre-Training from Molecules

   Sanjar Adilov

   PreprintMachine Learning in Materials Science20210 citations

   ABIABI:AkademIndex/openalex/2021.preprint.000016

7. The System of Self-Consistent QSPR-Models for Refractive Index of Polymers

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

   PreprintComputational Drug Discovery MethodsResearch Square20210 citations

   ABIABI:AkademIndex/openalex/2021.preprint.000136

8. Elucidating the Interactions of Fluoxetine with Human Transferrin Employing Spectroscopic, Calorimetric, and <i>In Silico</i> Approaches: Implications of a Potent Alzheimer’s Drug

   Mohd Shahnawaz Khan, Moyad Shahwan, Anas Shamsi +5

   ArticleAnalytical Chemistry and ChromatographyACS Omega20220 citations

   ABIABI:AkademIndex/openalex/2022.article.000980

9. A novel Artificial Intelligence-based tool to assess anticholinergic burden: a survey

   Agostina Secchi, Hulkar Mamayusupova, Saber Sami +4

   ArticlePharmaceutical Practices and Patient OutcomesAge and Ageing20220 citations

   ABIABI:AkademIndex/openalex/2022.article.001288

10. Study of acute toxicity, allergic and irritant features of dry extract "Helminth-art"

    Yuldasheva Shakhlo Khabibullaevna, Tukhtaev Khakim Rakhmanovich

    ArticlePharmacological Effects of Medicinal PlantsACADEMICIA An International Multidisciplinary Research Journal20220 citations

    ABIABI:AkademIndex/openalex/2022.article.007656

11. An overview of recent advancements in anti-aging medicines

    Muhammad Arsalan Ali Sajid, Muhammad Umair Hassan, Ayesha Ayesha

    ArticleComputational Drug Discovery MethodsZenodo (CERN European Organization for Nuclear Research)20220 citations

    ABIABI:AkademIndex/openalex/2022.article.007913

12. STUDY OF THE SPECIFIC ANTI-INFLAMMATORY ACTIVITY OF NEW DERIVATIVES OF MULTI-LIGAND BIOACTIVE COORDINATION COMPOUNDS BASED ON DICLOFENAC

    Obidova N.J, Makhmudov L.U, Abdugafurova D.G +1

    ArticleComputational Drug Discovery MethodsZenodo (CERN European Organization for Nuclear Research)20220 citations

    ABIABI:AkademIndex/openalex/2022.article.008845

13. Stability Constant and Potentiometric Sensitivity of Heavy Metal–Organic Fluorescent Compound Complexes: QSPR Models for Prediction and Design of Novel Coumarin-like Ligands

    Phan Thi Diem-Tran, Tue-Tam Ho, Nguyen-Van Tuan +10

    ArticleComputational Drug Discovery MethodsToxics20230 citations

    ABIABI:AkademIndex/openalex/2023.article.000955

14. Identification of <scp>mitogen‐activated</scp> protein kinase 7 inhibitors from natural products: Combined virtual screening and dynamic simulation studies

    Bandar Alharbi, Lina I. Alnajjar, Hassan H. Alhassan +7

    ArticleMelanoma and MAPK PathwaysJournal of Molecular Recognition20230 citations

    ABIABI:AkademIndex/openalex/2023.article.001697

15. ИЗУЧЕНИЕ DFT АНАЛИЗА РАЗЛИЧНЫХ ФОРМ ГЛЮТАМИНА

    Bakhtiyor Ganiev, Uktam Mardonov, Jamshid Ashurov

    ArticleCholinesterase and Neurodegenerative DiseasesBULLETIN of the L N Gumilyov Eurasian National University Chemistry Geography Ecology Series20230 citations

    ABIABI:AkademIndex/openalex/2023.article.010109

16. Some SERS Fingerprints of Metabolites from the Database Provided by Sherman et al., 2020

    Amelia Carolina Sparavigna

    ArticleMetabolomics and Mass Spectrometry StudiesSSRN Electronic Journal20230 citations

    ABIABI:AkademIndex/openalex/2023.article.011757

17. On topological indices of third type of hex-derived networks

    Haidar Ali, Didar Abdulkhaleq Ali, Fareeha Liaqat +5

    ArticleComputational Drug Discovery MethodsJournal of Mathematical Chemistry20230 citations

    ABIABI:AkademIndex/openalex/2023.article.011985

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

    Shokirbek Shermukhamedov, Dilorom Mamurjonova, Thana Maihom +1

    PreprintMachine Learning in Materials ScienceChemRxiv20230 citations

    ABIABI:AkademIndex/openalex/2023.preprint.000024

19. Synthesis, Structure, DFT and In Silico Studies of Zn (II) Complex with Lipoic Acid: A Potential Antidiabetic Drug

    Farkhod Raxmatovich Jumabaev, Diyorbek Khayrullaev, Rukhsona Zakirova +2

    PreprintBiochemical Acid Research StudiesPreprints.org20230 citations

    ABIABI:AkademIndex/openalex/2023.preprint.000044

20. Repurposing of Rutan showed effective treatment for COVID-19 disease

    Shavkat Salikhov, Ibrokhim Y. Abdurakhmonov, Jamolitdin F. Ziyavitdinov +15

    PreprintMedicinal Plant ResearchResearch Square20230 citations

    ABIABI:AkademIndex/openalex/2023.preprint.000050

21. Repurposing of Rutan showed effective treatment for COVID-19 disease

    Shavkat Salikhov, Ibrokhim Y. Abdurakhmonov, Jamolitdin F. Ziyavitdinov +15

    PreprintMedicinal Plant ResearchResearch Square20230 citations

    ABIABI:AkademIndex/openalex/2023.preprint.000109

22. Novel and potential therapy options for a range of cancer diseases: Using Flavonoid

    Wesam R. Kadhum, Pushpamala Ramaiah, Nahla A. Tayyib +7

    Review articlePhytochemicals and Antioxidant ActivitiesPathology - Research and Practice20230 citations

    ABIABI:AkademIndex/openalex/2023.review-article.000060

23. Is possible to decrease the risk of development of undesirable effects of medications applying computer technologies? (a review)

    N L Shimanovskiy, М. М. Шегай, R O Roik

    Review articleComputational Drug Discovery MethodsProblems of Social Hygiene Public Health and History of Medicine20230 citations

    ABIABI:AkademIndex/openalex/2023.review-article.000109

24. Molecular docking, MMGBSA, and ADMET studies of phytoconstituents of <i>Ocimum gratissimum</i> on multiple breast cancer targets

    Basiru Olaitan Ajiboye, Toluwase Hezekiah Fatoki, Precious Ayorinde Akinnusi +6

    ArticleComputational Drug Discovery MethodsNatural Product Research20240 citations

    ABIABI:AkademIndex/openalex/2024.article.001001

25. Second-line drug-resistant TB and associated risk factors in Karakalpakstan, Uzbekistan

    S. Moe, I. Azamat, Sholpan Allamuratova +14

    ArticleTuberculosis Research and EpidemiologyIJTLD OPEN20240 citations

    ABIABI:AkademIndex/openalex/2024.article.001030