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Molecular Diversity|July 3, 2025
IUPAC-GPT: an IUPAC-based large-scale molecular pre-trained model for property prediction and molecule generationJiashun Mao, Tang Sui, Kwang-Hwi Cho, et al.
Molecular Diversity|June 28, 2025
Design, synthesis, and in vitro and in vivo anticancer activity of mitochondrial targeted ferulic acid derivativesYuyu Wu, Ximeng Zhang, Haocheng Li, et al.
Molecular Diversity|June 25, 2025
Synthesis and bioactivity of tetrahydrothiopyran derivatives as potential acaricides against Psoroptes cuniculiDongdong Chen, Yan Wang, Yujun Wu, et al.
Molecular Diversity|September 21, 2025
TMolNet: a task-aware multimodal neural network for molecular property predictionCao Han, Xianghong Tang, Jianguang Lu
Molecular Diversity|September 20, 2025
Molecular docking-based design of novel tricyclic tetrahydropyridothienopyrimidinone derivatives as AChE/MAO-B dual inhibitorsJuan Zhang, Yue Li, Jia-Dong Shao, et al.
Molecular Diversity|September 19, 2025
Advancements in antiviral activity of aza-heterocyclic compounds: a reviewIssam Ameziane El Hassani, Khalid Karrouchi, M'hammed Ansar
Molecular Diversity|August 19, 2025
Design and optimization of novel succinate dehydrogenase inhibitors against agricultural fungi based on transformer modelYuan Zhang, Jianqi Chai, Ling Li, et al.
Molecular Diversity|June 18, 2025
Unraveling the binding mechanism of olanzapine with human serum transferrin: a multispectroscopic and computational investigationAleksandar Djurović, Emina Mrkalić, Žiko Milanović, et al.
Molecular Diversity|June 13, 2025
Quinazolinone based broad-spectrum antiviral molecules: design, synthesis, in silico studies and biological evaluationAbdallah E Abdallah, Omkulthom Al Kamaly, Esmail M El-Fakharany, et al.
Molecular Diversity|June 16, 2025
Chemometric modeling, inverse docking, and molecular simulations-driven design for multilayered prioritization of novel leishmanicidal agents based on a 2-aminobenzimidazole scaffoldArpita Biswas, Arnab Bhattacharjee, Supratik Kar, et al.
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