Bridging chemical space and biological efficacy: advances and challenges in applying generative models in structural modification of natural products

Bridging chemical space and biological efficacy: advances and challenges in applying generative models in structural modification of natural products

Abstract Natural products (NPs) are invaluable resources for drug discovery, characterized by their intricate scaffolds and diverse bioactivities. AI drug discovery & design (AIDD) has emerged as a transformative approach for the rational structural modification of NPs. This review examines a va...

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Bibliographic Details
Main Authors: Chuan-Su Liu, Bing-Chao Yan, Han-Dong Sun, Jin-Cai Lu, Pema-Tenzin Puno
Format: Article
Language:English
Published: SpringerOpen 2025-06-01
Series:Natural Products and Bioprospecting
Subjects:
Natural products
Artificial intelligence
Molecular generative models
Structural modification
Online Access:https://doi.org/10.1007/s13659-025-00521-y
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https://doi.org/10.1007/s13659-025-00521-y

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