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Yue Peng

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Review Open access Jul 2026

AI in Drug Discovery: Applications, Challenges and Future Prospects

How machine learning, deep learning, natural language processing, and related computational methods are being applied across the drug discovery process is reviewed, with particular attention to AlphaFold-based protein structure prediction, AI-supported virtual screening, generative chemistry, retrosynthetic planning, digital pathology, and the use of real-world clinical data.

Yue Peng · 0 citations