Article

Retrosynthetic Planning with Experience-Guided Monte Carlo Tree Search

2022-03-07

Abstract excerpt

<title>Abstract</title> <p>Retrosynthetic planning problem is to analyze a complex molecule and give a synthetic route using simple building blocks. The huge number of chemical reactions leads to a combinatorial explosion of possibilities, and even the experienced chemists often have difficulty to select the most promising transformations. The current approaches rely on human-defined or machine-trained score func...

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Literature Corpus work: 150ff0d6-7905-5fa3-af6e-53ee21e0fd3d
DOI: 10.21203/rs.3.rs-1400871/v1

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