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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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…”
Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text