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AI in Drug Discovery: Progress and Challenges

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Artificial intelligence is revolutionizing drug discovery through advanced neural networks and machine learning. Key advancements include deep neural networks for molecular design (2023 Boston Consulting Group Report) and AI-driven hit finding (2021 SLAS study). The FDA approved 75 drugs in 2024 using AI tools, highlighting its growing impact.

However, challenges persist: clinical trial success rates remain low (2025 Nature Reviews study), and predictive models often overestimate accuracy (**2013 J. Chem. Inf.

Model.). Experts emphasize the need for rigorous validation (2022 Nature Reviews) and integration of biological data (2021 Drug Discovery Today). Despite progress, the field faces hurdles like data leakage (2023 Patterns**) and reproducibility issues.

Future directions include AI-powered ADMET platforms (2020 Drug Discovery Today) and end-to-end clinical development frameworks (2025 J. Med. Chem.).