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Molecular Diversity|August 29, 2026
Discovery of aloe-emodin as an antidepressant agent by targeting RANBP9Yangyang Yang, Dezhong Sun, Qingyun Jia, et al.
Molecular Diversity|August 28, 2026
Integrated multi-omics, machine learning, network toxicology, and molecular docking reveal potential mechanisms underlying methyl 4-hydroxybenzoate-associated breast cancerChunhong Li, Xin Zeng, Yuhua Mao
Molecular Diversity|August 30, 2026
Multi-omics, machine learning, and molecular simulation identify CD44 as a candidate target in endocrine-disrupting chemical-associated thyroid cancer progressionYifan Hu, Keshu Liu, Ting Chen, et al.
Molecular Diversity|August 30, 2026
DSC-bsite: a dynamic-static collaborative multimodal graph learning method for protein-small molecule binding site predictionMinglei Dong, Dongjiang Niu, Yuanxing Peng, et al.
Molecular Diversity|September 4, 2026
De novo generation and computational screening of dual-targeting short peptide inhibitors against PBP2b and PBP2x in drug-resistant Streptococcus PneumoniaeZhizhi Li, Fang Tian, Shuning Jiang, et al.
Molecular Diversity|September 4, 2026
Integrating machine learning and deep learning with multiple molecular fingerprints for topoisomerase I inhibitor screening and lead identificationHuang Zeng, Xuerou Zheng, Jiayao Liu, et al.
Molecular Diversity|September 12, 2026
Lipase ITB 2.1: a structure- and function-validated model for anti-obesity drug screeningIlma Fauziah Ma'ruf, Teni Ernawati, Faris Hermawan, et al.
Molecular Diversity|September 12, 2026
HD-SKRG: a hierarchical dual-view and structure-knowledge relation graph enhancement network for few-shot molecular property predictionLuyi Jia, Mingyang Wang, Zeming Wang, et al.
Molecular Diversity|September 9, 2026
Electrochemical synthesis of antioxidant trideuteromethylthiolated enaminones through three-component cascade reactionsJingjing Wang, Lijin Wang, Wenbo Zhang, et al.
Molecular Diversity|October 7, 2010
Silica-supported sulfonic acid-functionalized ionic liquid coated with [bmim][PF6] as a scavenger for the synthesis of amidesLi-Qin Kang, Yue-Qin Cai, Yan-Qing Peng, et al.
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