Year: 2025
Type: article
Abstract: 54.80%). Finally, we apply the strategy on a set of drug molecules to exemplify a real-world scenario. Our novel approach enables building a short joint synthesis route that satisfies the given bond constraints and covers eight of the ten molecules, demonstrating the added value of incorporating human prior knowledge in synthesis planning.
Source: Chemical Science
DOI: 10.1039/d5sc00927h
Institution: AstraZeneca (Sweden)
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4412395628