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Integrating Synthetic Accessibility Scoring and AI-Based Retrosynthesis Analysis to Evaluate AI-Generated Drug Molecules Synthesizability

<b>Background:</b> One of the challenges of applying artificial intelligence (AI) methods to drug discovery is the difficulty of laboratory synthesizability for many AI-discovered molecules. Often, in silico techniques and metrics such as the computationally enabled synthesizability score and AI-bas...

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Principais autores: Mokete Motente, Uche A. K. Chude-Okonkwo
פורמט: Artigo
שפה:Inglês
יצא לאור: MDPI AG 2025-05-01
סדרה:Drugs and Drug Candidates
נושאים:
drug discovery
artificial intelligence
synthesizability
synthetic accessibility score
retrosynthesis
גישה מקוונת:https://www.mdpi.com/2813-2998/4/2/26
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