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Molecular Diversity|August 1, 2022
Ultrasound-promoted convenient and ionic liquid [BMIM]BF4 assisted green synthesis of diversely functionalized pyrazolo quinoline core via one-pot multicomponent reaction, DFT study and pharmacological evaluationDipakkumar D Chudasama, Manan S Patel, Jaydeepkumar N Parekh, et al.
Molecular Diversity|November 28, 2025
Interpretable Quantitative Structure-Activity Relationship (QSAR) for identification of potent antifungal activity agents towards Candida albicans ATCC 2091Mariusz Zapadka, Krzysztof Zbigniew Łączkowski, Anna Budzyńska, et al.
Molecular Diversity|December 19, 2025
Contemporary trends on the kinase inhibitors with special reference to quinoxaline derivativesKirti Sharma, Asim Kumar, Srikant Bhagat, et al.
Molecular Diversity|December 19, 2025
Design and synthesis of novel quinazoline derivatives as KDM6B selective inhibitorsDongxuan Ni, Hongyuan Zhou, Qijing Fan, et al.
Molecular Diversity|December 19, 2025
Discovery of a small-molecule inhibitor targeting human GMP synthetaseZhiyan Wang, Rajamanikandan Sundarraj, Boao Mao, et al.
Molecular Diversity|January 23, 2026
Deep learning-enhanced QSAR modeling for predicting developmental neurotoxicity based on molecular initiating events from adverse outcome pathwaysEufrásia de Sousa Pereira, Vinícius Alexandre Fiaia Costa, Eder Soares de Almeida Santos, et al.
Molecular Diversity|January 14, 2026
Integrative gene target mapping, RNA sequencing, in silico molecular docking, ADMET profiling and molecular dynamics simulation study of marine derived molecules for type 1 diabetes mellitusBasavaraj Vastrad, Shivaling Pattanashetti, Veeresh Sadashivanavar, et al.
Molecular Diversity|January 9, 2026
FRAIL: fragment-based reinforcement learning for molecular design and benchmarking on fatty acid amide hydrolase 1 (FAAH-1)Manh-Tu Luong, Khanh Huyen Thi Pham, Nhat-Hai Nguyen, et al.
Molecular Diversity|February 4, 2026
Interpretable machine learning-driven identification of novel DENV NS2B-NS3 protease inhibitors through multi-stage virtual screening and experimental validationShengjie Hu, Yan Xiao, Hailun Jiang, et al.
Molecular Diversity|January 7, 2026
Organophosphine-mediated formal [4 + 2] cycloadditions of benzo[c][1,2]dithiol-3-ones and iso(thio)cyanates via S to C-N skeletal editing strategyLingqian Wan, Bohao Zhang, Meixing Chen, et al.
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