Fig. 1: Overview of AI-driven rational design of ionizable lipids for mRNA lipid nanoparticles.
From: Artificial intelligence-driven rational design of ionizable lipids for mRNA delivery
a The collected data was used to build models predicting the apparent pKa and mRNA delivery efficiency of LNPs. The 1- and 2-fold of MC3 mRNA delivery efficiency was used in Models 1 and 2 as the criterion in the model classifying ionizable lipids with positive delivery efficiency. b The first-round of virtual screening of ionizable lipids and validation based on pKa model and Model 1. c The second-round of virtual screening of ionizable lipids and validation based on pKa model and Model 2. AI artificial intelligence, LNP lipid nanoparticle, MC3, DLin-MC3-DMA.
