Wird geladen...

Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning

Computer aided synthesis planning of synthetic pathways with green process conditions has become of increasing importance in organic chemistry, but the large search space inherent in synthesis planning and the difficulty in predicting reaction conditions make it a significant challenge. We introduce...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Chem Sci
Hauptverfasser: Wang, Xiaoxue, Qian, Yujie, Gao, Hanyu, Coley, Connor W., Mo, Yiming, Barzilay, Regina, Jensen, Klavs F.
Format: Artigo
Sprache:Inglês
Veröffentlicht: The Royal Society of Chemistry 2020
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8162445/
https://ncbi.nlm.nih.gov/pubmed/34094345
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc04184j
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!