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Molecular Diversity|May 3, 2026
The architecture of computational antiviralism: a multi-scale framework from molecular targeting to viral ecosystem engineeringAhmed I Foudah, Mohammed H Alqarni, Akil Ahmad, et al.
Molecular Diversity|July 23, 2026
From reagents to feedstocks: reprogramming heteroatom-containing molecules in modern organic synthesisJixiang Ni, Mohd Aamir Bin Riyaz, Zhenyu An, et al.
Molecular Diversity|July 17, 2026
Synthesis, 131I-radioiodination, and biodistribution of a novel nicotinonitrile derivative with in vitro antimicrobial and DNA gyrase inhibitory activitiesBasant G Salib, Basma M Essa, Hesham A Shamsel-Din, et al.
Molecular Diversity|August 3, 2026
CBInformax: bioactivity-aware self-supervised molecular representation learning for molecular property and drug-drug interaction predictionYanpeng Zhao, Guowei Zhou, Jingjing Wang, et al.
Molecular Diversity|July 16, 2026
Design, synthesis, and biological characterization of a hydrophobic tagging EGFR degrader for the treatment of non-small-cell lung cancerMo Li, Chengye Wang, Xingting Wang, et al.
Molecular Diversity|July 23, 2026
Integrated machine learning and structural bioinformatics guided identification of novel molecular scaffolds as renin inhibitorsShubham Krushna Talware, Girdhar Bhati, Gaurava Srivastava, et al.
Molecular Diversity|August 12, 2026
Multimodal deep learning with a joint uncertainty quantification scheme for drug-target interaction predictionXingyu Xu, Huilin Xie, Yun Chen
Molecular Diversity|August 12, 2026
Deep learning-assisted virtual screening of a large chemical library for selective GSK3β inhibitorsTanmaykumar Varma, Pradnya Kamble, Prabha Garg
Molecular Diversity|August 21, 2026
Umamifusion: attention-enhanced multimodal fusion of graph and sequence features for umami peptide identificationPu Wang, Weihao Liu, Bo Hang
Molecular Diversity|August 20, 2026
Hyp-retro: hypernetwork-guided preference-conditioned retrosynthetic plannerJingwen Wang, Shuan Liu, Shaoye Zhang, et al.
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