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Molecular Diversity|June 11, 2025
Advancing the development of deep learning and machine learning models for oral drugs through diverse descriptor classes: a focus on pharmacokinetic parameters (Vdss and PPB)Rakesh Bantu, Samiron Phukan, Simon Haydar
Molecular Diversity|June 23, 2025
Structure-based screening of small-molecule interleukin-23 inhibitors inspired by monoclonal antibody interactionsKhac-Minh Thai, Thi-Thanh-Thao Vu, Quang-Minh Mai, et al.
Molecular Diversity|June 19, 2025
Development of a novel multi-epitope vaccine against Ureaplasma urealyticum infection through reverse vaccinology approachLinglan Xu, Nan Xie, Yiqin Liu, et al.
Molecular Diversity|June 22, 2025
Design, synthesis and antitumor activity of thiadiazole derivatives as novel ALK kinase inhibitorsYiwen Huo, Qinjiang Zhou, Cheng Zhang, et al.
Molecular Diversity|June 23, 2025
Drug repurposing for renin inhibition: identifying panobinostat for hypertension managementNisha Bansal, Mohammad Khalid Parvez, M Arockia Babu, et al.
Molecular Diversity|June 21, 2025
Computational mechanistic insight of fungal metabolites for novel acetylcholinesterase inhibitorsHadeel Alyenbaawi, Mohammed Alsaweed, Qazi Mohammad Sajid Jamal, et al.
Molecular Diversity|May 26, 2025
Drug repurposing to identify potential FDA-approved drugs targeting three main angiogenesis receptors through a deep learning frameworkMohammadreza Torabi, Soroush Sardari, Alejandro Rodríguez-Martínez, et al.
Molecular Diversity|February 20, 2024
Improved QSAR models for PARP-1 inhibition using data balancing, interpretable machine learning, and matched molecular pair analysisAnish Gomatam, Bhakti Umesh Hirlekar, Krishan Dev Singh, et al.
Molecular Diversity|February 17, 2024
Taming the cytokine storm: small molecule inhibitors targeting IL-6/IL-6α receptorKomal Zia, Mohammad Nur-E-Alam, Aftab Ahmad, et al.
Molecular Diversity|March 21, 2024
Potential protein kinase inhibitors that target G-quadruplex DNA structures in the human telomeric regionsBhavya Banjan, Abel John Koshy, Haritha Kalath, et al.
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