arXiv AI
Aug 10

Strategy-first synthesis planning for complex natural products

arXiv:2608. 07454v1 Announce Type: cross Abstract: The total synthesis of a complex molecule is among the most demanding intellectual and experimental feats in chemistry: a chemist must plan many steps ahead for how to assemble simple building blocks into an intricate target, devise backup strategies, and anticipate procedural challenges.

By Daniel Armstrong, Xuan-Vu Nguyen, Octavian Susanu, Gabriel Gibberd, Th\'eo A. Neukomm, Tadd\"aus Strunden, Dan Forster, Morgane Delattre, Shawn Teh, Cl\'ement Rols, John Federice, Hayden Leatherwood, M. Lavelle Barnes, Maarten R. Dobbelaere, Peter Wipf, Jon T. Njardarson, Jieping Zhu, Philippe Schwaller
arXiv AI
Sep 1

LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature

arXiv:2510.26824v2 Announce Type: replace-cross Abstract: Wide access to advanced experimental methods in materials science has given rise to an abundance of procedural knowledge, which is scattered...

By Magdalena Lederbauer, Siddharth Betala, Valerie Gentzke, Anamaria Leonescu, Amine Sehaba, Faris Flaifil, Ayush Jain, Alfonso Amayuelas, Nikhil Yelamarthy, Xiyao Li, Gr\'egoire Germain, Stefano Ribes, Stefan P. Schmid, Alexandre Nozadze, Anna Kelmanson, Sudheesh Kumar Ethirajan, Mohd Zaki, Elton Pan, Georgia Channing, Connor W. Coley, Philippe Schwaller, Roc\'io Mercado, Alexandre Duval, Mathilde L. D. Franckel, Samuel P. Gleason