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Molecular Diversity|March 26, 2005
Recent advances in 1,3-dipolar cycloaddition reactions on solid supportsKirsi Harju, Jari Yli-KauhaluomaMolecular Diversity|June 5, 2026
Computational screening of Alternaria metabolites as potential DPP-4 inhibitors: ADMET, molecular docking, molecular dynamics, and network pharmacology analysisPiyush Kumar, Sai Anand Kannakazhi Kantari, Malleswara DharanikotaMolecular Diversity|June 9, 2026
BCAT1 mediates the carcinogenic effects of environmental bisphenol exposure: mechanistic discoveries in osteosarcoma and pan-cancer analysisSun Jiahao, Wang Cong, Li Xin, et al.Molecular Diversity|April 21, 2026
Harnessing machine learning and multi-scale modeling to discover novel ALOX15 inhibitors from marine natural productsXiyi Zheng, Xiaomin Lin, Jiahua Tao, et al.Molecular Diversity|May 3, 2026
Integrating AI into next-generation PROTAC Engineering: a comprehensive toolkit for rational PROTAC designPitam Ghosh, Ryena Dhir, Dinki Sharma, et al.Molecular Diversity|May 9, 2026
Rapid evaluation of the comprehensive quality of paeonol/cyclodextrin supramolecular complexes using CASSA based on near-infrared spectroscopy combined with artificial intelligenceBo-Yao Zhang, Xin-Li Li, Cheng Qian, et al.Molecular Diversity|May 9, 2026
Exploring anti-dengue activity with atomic-weighted vectors, class balancing and machine learningYoan Martínez-López, Ansel Y Rodríguez-Gonzalez, Paulina Phoobane, et al.Molecular Diversity|May 27, 2025
Application of high-precision solubility prediction models in the assisted design of drug-like compoundsYutong GaoMolecular Diversity|May 14, 2026
Design, synthesis and pharmacological evaluation of novel 2-aryloxazole-based H3 receptor antagonists as potent, antiseizure agentsYing Zheng, Guowen He, Yingna Zhu, et al.Molecular Diversity|May 26, 2025
Harnessing virtual screening and MD simulations: a multistage approach to identifying potent and nontoxic agonists for protein kinase AMuneeb Ali, Nadeem Ahmad, Madiha Sardar, et al.Pageof 290