A policy network guided Monte Carlo tree search generates ionizable lipid candidates with higher predicted ionizable lipid rates than the SyntheMol baseline, but synthesis pathway validation succeeds for only a minority of products.
Kusner, Marwin H
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Generative Model for Synthesizing Ionizable Lipids: A Monte Carlo Tree Search Approach
A policy network guided Monte Carlo tree search generates ionizable lipid candidates with higher predicted ionizable lipid rates than the SyntheMol baseline, but synthesis pathway validation succeeds for only a minority of products.