Comprehensive safety and toxicity analysis of 2,2’-Bipyridine derivatives in combating MRSA biofilm formation and persistence by Priyanka, Priyanka, Mohini Sharma, Bhavna Vaid, Bhavna Vaid, Ram Bharti, Ram Bharti, Sachin Raut, Sachin Raut, R. S. Jolly, Neeraj Khatri, Neeraj Khatri

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Natural Product Identification and Molecular Docking Studies of Leishmania Major Pteridine Reductase Inhibitors by Moses N. Arthur, George Hanson, Emmanuel Broni, Patrick O. Sakyi, Henrietta Mensah-Brown, Whelton A. Miller, Samuel K. Kwofie

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Exploring the antimicrobial and antioxidative potential of Leucas aspera (Willd.) link: Phytochemical screening, molecular docking, and HR-LC/MS profiling against SARS-CoV-2 protei... by Thavasiaanatham Seenivasan Shalini, Ragothaman Prathiviraj, Poomalai Senthilraja

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Computational evaluation on spectroscopic (FT-IR, Raman), electronic and biological, and NLO properties of cirsilineol by DFT, ADMET, and molecular docking method by Tirth Raj Paneru, Poonam Tandon, Bhawani Datt Joshi

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Computational evaluation on spectroscopic (FT-IR, Raman), electronic and biological, and NLO properties of cirsilineol by DFT, ADMET, and molecular docking method by Tirth Raj Paneru, Poonam Tandon, Bhawani Datt Joshi

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Leveraging computational approaches in identifying novel HER-2 + breast cancer potential therapeutics: integrating virtual screening and molecular dynamics simulation by Olawale Quadri Bolaji, Temitope Isaac Adelusi, Taiwo Ooreoluwa Ojo, Ibrahim Damilare Boyenle, Abdul-Quddus Kehinde Oyedele, Taiwo Temitope Ogunjobi, Adegboye Oyewole Oyaronbi, Sukurat Oluwatoyin Ayoola, Abdeen Tunde Ogunlana

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Performance of Quantum Annealing Machine Learning Classification Models on ADMET Datasets by Hadi Salloum, Kamil Sabbagh, Vladislav Savchuk, Ruslan Lukin, Osama Orabi, Marat Isangulov, Manuel Mazzara

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Identification of promising SARS-CoV-2 main protease inhibitor through molecular docking, dynamics simulation, and ADMET analysis by Ganesh Sharma, Neeraj Kumar, Chandra Shekhar Sharma, Taha Alqahtani, Yewulsew Kebede Tiruneh, Sharifa Sultana, Gabriel Vinícius Rolim Silva, Gabriela de Lima Menezes, Magdi E. A. Zaki, Jonas Ivan Nobre Oliveira

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Neuroprotective Potential of <i>Origanum majorana</i> L. Essential Oil Against Scopolamine-Induced Memory Deficits and Oxidative Stress in a Zebrafish Model by Ion Brinza, Razvan Stefan Boiangiu, Iasmina Honceriu, Ahmed M. Abd-Alkhalek, Samir M. Osman, Omayma A. Eldahshan, Elena Todirascu-Ciornea, Gabriela Dumitru, Lucian Hritcu

Subjects: “…ADMET…”
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Rational design of novel phenol ether derivatives as non-covalent proteasome inhibitors through 3D-QSAR, molecular docking and ADMET prediction by Miao Yuan, Hanwen Ji, Fengxin Sun, Qiang Chen, Ping Cheng

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An in-depth study of indolone derivatives as potential lung cancer treatment by Mohammed Er-rajy, Mohamed El fadili, Radwan Alnajjar, Sara Zarougui, Somdutt Mujwar, Khalil Azzaoui, Hatem A. Abuelizz, Belkheir Hammouti, Menana Elhallaoui

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Design, synthesis, SAR and ADMET analyses of the novel class of synthetic 7-amino[1,2,5]oxadiazolo[3,4-b]pyridine-6-carboxylate derivatives with vasorelaxant activity by Anatolii Varenyk, Roman Vydzhak, Svitlana Panchishin, Irina Ivanova, Victor Zhirnov, Volodymyr Brovarets

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