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Generative Model for Synthesizing Ionizable Lipids: A Monte Carlo Tree Search Approach

Generative Model for Synthesizing Ionizable Lipids: A Monte Carlo Tree Search Approach

Ionizable lipids are essential in developing lipid nanoparticles (LNPs) for effective messenger RNA (mRNA) delivery. While traditional methods for designing new ionizable lipids are typically time-consuming, deep generative models have emerged as a powerful solution, significantly accelerating the molecular discovery process. However, a practical challenge arises as the molecular structures …