AiZynthFinder 4.0: developments based on learnings from 3 years of industrial application

Abstract We present an updated overview of the AiZynthFinder package for retrosynthesis planning. Since the first version was released in 2020, we have added a substantial number of new features based on user feedback. Feature enhancements include policies for filter reactions, support for any one-s...

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Bibliographic Details

Published in:	Journal of Cheminformatics
Main Authors:	Lakshidaa Saigiridharan, Alan Kai Hassen, Helen Lai, Paula Torren-Peraire, Ola Engkvist, Samuel Genheden
Format:	Article
Language:	English
Published:	BMC 2024-05-01
Subjects:	Computer-aided synthesis planning Retrosynthesis software Multi-step retrosynthesis Open-source
Online Access:	https://doi.org/10.1186/s13321-024-00860-x