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Molecular Diversity|August 12, 2026
The JAK/STAT pathway: a pivotal therapeutic target in disease and advances in natural product modulationMing-Yue Li, Yu-Yang Lin, Chun-Ying Wang, et al.Molecular Diversity|August 12, 2026
MSCA-PLA: multi-scale cross-attention with differentiable pooling for protein-ligand binding affinity predictionJiale Pan, Xiaosong Wang, Qingyong WangMolecular Diversity|August 20, 2026
Design, synthesis, and biological evaluation of novel trifluoromethyl-substituted quinolinone derivatives targeting triple-negative breast cancerMei Zhang, Man Chen, Yimin Yang, et al.Molecular Diversity|September 6, 2026
A dynamic fusion diffusion model for molecular generationLongbin Sun, Xiujuan Lei, Mei MaMolecular Diversity|September 4, 2026
FlavorGPN: a graph neural network for multi-label molecular flavor predictionJie Liu, Xin Shu, Shougang Ren, et al.Molecular Diversity|July 30, 2026
A synergistic deep learning and machine learning framework for screening heterocyclic compounds against ALDH1A1Shu-Chi Cho, Yi-Wen Wang, Chien-An Chu, et al.Molecular Diversity|August 7, 2026
Rapid assembly of structurally diverse 3,4-dihydroquinazolines with anticancer activity via SDS-promoted aqueous synthesisFu-Qiang Yu, Pei-Lu Song, Yan-Rui Fan, et al.Molecular Diversity|August 29, 2026
Harnessing machine learning, docking and molecular dynamics for the virtual screening of compounds as CDK4/6 dual inhibitorsYuxi Wang, Linxia Fang, Quanfang Liu, et al.Molecular Diversity|August 28, 2026
Natural products mediate ferroptosis and immune microenvironment-linked sensitization in osteosarcoma: from chemotherapy resistance to combined therapeutic transformationYuwen Dai, Wanjun DingMolecular Diversity|September 19, 2026
Structure-based drug repurposing and in vitro evaluation of VAV2-associated candidates for suppression of macrophage foam-cell formation in atherosclerosisPrerna Bansal, Kamna SrivastavaPageof 290