2k citations · 2.2k across the 27 of their papers we have counts for
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cs.AI2017★ 2k cited
Learning to Plan Chemical Syntheses
Marwin H. S. Segler, Mike Preuss, Mark P. Waller
From medicines to materials, small organic molecules are indispensable for human well-being. To plan their syntheses, chemists employ a problem solving technique called retrosynthe…
cs.AI2017★ 15 cited
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…