118 citations · 236 across the 18 of their papers we have counts for
4 papers · 1 filter
Nature Language Model: Deciphering the Language of Nature for Scientific Discovery
Yingce Xia, Peiran Jin, Shufang Xie +43
Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspire…
Retro-fallback: retrosynthetic planning in an uncertain world
Austin Tripp, Krzysztof Maziarz, Sarah Lewis +2
Retrosynthesis is the task of planning a series of chemical reactions to create a desired molecule from simpler, buyable molecules. While previous works have proposed algorithms to…
Retrosynthetic Planning with Dual Value Networks
Guoqing Liu, Di Xue, Shufang Xie +7
Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design…
Towards "AlphaChem": Chemical Synthesis Planning with Tree Search and Deep Neural Network Policies
Marwin Segler, Mike Preuß, Mark P. Waller
Retrosynthesis is a technique to plan the chemical synthesis of organic molecules, for example drugs, agro- and fine chemicals. In retrosynthesis, a search tree is built by analysi…