The study presents an interpretable machine‑learning framework that predicts whether lipid nanoparticles (LNPs) accumulate in the liver or in extrahepatic tissues after intravenous injection. Using a curated dataset of 476 LNP formulations, the authors engineered 808 features from lipid chemistry and formulation composition, and achieved ROC‑AUC scores up to 0.874 with tree‑based models. SHAP analysis identified ionizable‑lipid descriptors and formulation fractions—especially ionizable lipid, sterol, and PEGylated/polymer‑conjugated lipid components—as key drivers of biodistribution, offering actionable design principles for targeting tissues beyond the liver.
By Asal Mehradfar, Mohammad Shahab Sepehri, Owen Antholine, Varun Shankar, Glen S. Kwon, Salman Avestimehr, Morteza Rasoulianboroujeni
arXiv:2608.29939v1 Announce Type: cross
Abstract: Streaming-potential-mediated transport of viscoelastic fluids has attracted research attention owing to its applications in electrokinetic energy con...
By Ankan Basu, Sumanta Banerjee
arXiv:2607. 12349v1 Announce Type: new Abstract: Drug discovery and development is time-consuming and resource-intensive, motivating computational approaches such as diffusion models for de novo drug design.
By Ruoxi Gao, Jiangweizhi Peng, Ziqi Chen, Frazier N. Baker, David C. Kombo, John L. Kane Jr., Andrew A. Scholte, Yi Li, Matthew J. LaMarche, Luigi I. Iconaru, Hans-Peter Biemann, Mingyi Hong, Xia Ning
Drug discovery and development is time-consuming and resource-intensive, motivating computational approaches such as diffusion models for de novo drug design. Many such models follow the structure-based drug design (SBDD) paradigm, generating molecules to fit a target binding pocket.
arXiv:2504. 13853v2 Announce Type: replace-cross Abstract: Rational design of lipid nanoparticles (LNPs) for tissue-specific delivery critically depends on predicting the composition of the protein corona that forms on the lipid surface after intravenous administration.
By Pingfei Zhu, Hongyi Liu, Xueyan Liu, Zhenjun Yang, Bo Yang
arXiv:2507. 03209v2 Announce Type: replace-cross Abstract: The discovery of new ionizable lipids for efficient lipid nanoparticle (LNP)-mediated RNA delivery remains a major bottleneck in RNA therapeutics development.
By Asal Mehradfar, Mohammad Shahab Sepehri, Jose Miguel Hernandez-Lobato, Glen S. Kwon, Mahdi Soltanolkotabi, Salman Avestimehr, Morteza Rasoulianboroujeni