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 scor...

Full description

Bibliographic Details

Published in:	Drugs and Drug Candidates
Main Authors:	Mokete Motente, Uche A. K. Chude-Okonkwo
Format:	Article
Language:	English
Published:	MDPI AG 2025-05-01
Subjects:	drug discovery artificial intelligence synthesizability synthetic accessibility score retrosynthesis
Online Access:	https://www.mdpi.com/2813-2998/4/2/26