Generative artificial intelligence based models optimization towards molecule design enhancement

Abstract Generative artificial intelligence (GenAI) models have emerged as a transformative tool for addressing the complex challenges of drug discovery, enabling the design of structurally diverse, chemically valid, and functionally relevant molecules. Despite significant advancements, the rapid ex...

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Κύριοι συγγραφείς:	Tarek Khater, Sara Awni Alkhatib, Aamna AlShehhi, Charalampos Pitsalidis, Anna Maria Pappa, Son Tung Ngo, Vincent Chan, Vi Khanh Truong
Μορφή:	Artigo
Γλώσσα:	Inglês
Έκδοση:	BMC 2025-08-01
Σειρά:	Journal of Cheminformatics
Θέματα:	Generative AI Molecular design Optimization Reinforcement learning Chemical informatics Drug discovery
Διαθέσιμο Online:	https://doi.org/10.1186/s13321-025-01059-4
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