A multi-modal computational strategy integrating ensemble learning, molecular docking, and drug-likeness profiling for the discovery of novel small-molecule TNF-α inhibitors. (PubMed, Comput Biol Chem) - Oct 19, 2026 - "The pipeline returns a shortlist of tractable compounds, three negative results, and one qualification that bounds what it means. Binding, inhibition, and cytotoxicity assays are required before any compound can be called a TNF-α inhibitor."
Journal • Immunology • Oncology
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Haiyue Zuo; Li Liu; Ning Wang; Qi Liang; QianQian Jia; Tao Li; Xiaorong Yan; Yanan Mu; Yuan Wang
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