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Thu. Mar 27, 2025

Fri. Mar 28, 2025

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Computational approaches to side-effects

Artificial intelligence (AI) is transforming modern society, with deep learning, the key technology behind generative AI models like ChatGPT, playing a central role in the current AI boom. Its influence extends to pharmaceuticals and chemistry, where systems like AlphaFold are driving advancements in drug discovery. AI is expected to accelerate drug development by aiding in tasks such as drug candidate design and predicting synthetic routes. However, challenges remain, especially concerning the validity and interpretability of AI predictions, which present both concerns and opportunities. Medicinal chemists face the additional challenge of bridging the gap between their field and informatics, requiring a solid understanding of both the potential and limitations of AI.<br />In this symposium, we invite young cheminformatics researchers to present their latest work and future perspectives. By sharing research on key topics such as compound design, reaction condition optimization, toxicity prediction, and chemical space exploration, we aim to inspire the effective integration of AI into medicinal chemistry, promoting a new era of drug discovery where experiments and AI work in synergy.

Spring School in Chemoinformatics 2025 —Cutting-Edge AI in Medicinal Chemistry —

The 145th Annual Meeting of the Pharmaceutical Society of Japan (Fukuoka)

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[S14-3]Computational approaches to side-effects

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