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The discovery of new ionizable lipids for efficient lipid nanoparticle (LNP)-mediated RNA delivery remains a critical bottleneck for RNA-based therapeutics development. Recent advances have highlighted the potential of machine learning (ML)…

Lipid nanoparticles (LNPs) are highly effective carriers for gene therapies, including mRNA and siRNA delivery, due to their ability to transport nucleic acids across biological membranes, low cytotoxicity, improved pharmacokinetics, and…

Biomolecules · Quantitative Biology 2025-06-06 Gaurav Kumar , Arezoo M. Ardekani

Nucleic acids such as mRNA have emerged as a promising therapeutic modality with the capability of addressing a wide range of diseases. Lipid nanoparticles (LNPs) as a delivery platform for nucleic acids were used in the COVID-19 vaccines…

As the primary mRNA delivery vehicles, ionizable lipid nanoparticles (LNPs) exhibit excellent safety, high transfection efficiency, and strong immune response induction. However, the screening process for LNPs is time-consuming and costly.…

Artificial Intelligence · Computer Science 2024-07-09 Kun Wu , Zixu Wang , Xiulong Yang , Yangyang Chen , Zhenqi Han , Jialu Zhang , Lizhuang Liu

Lipid nanoparticles (LNPs) are among the most clinically mature platforms for nucleic acid delivery, yet designing lipids that are both effective and biologically safe remains a major bottleneck. In practical screening, toxicity is a…

Artificial Intelligence · Computer Science 2026-05-26 Leshu Li , An Lu , Haiyu Wang , Zhibin Feng , Conghui Duan , Qing Bao , Zongmin Zhao , Sai Qian Zhang

Programmable lipid nanoparticles, or LNPs, represent a breakthrough in the realm of targeted drug delivery, offering precise spatiotemporal control essential for the treatment of complex diseases such as cancer and genetic disorders. In…

Biomolecules · Quantitative Biology 2024-08-28 Zhaoyu Liu , Jingxun Chen , Mingkun Xu , David H. Gracias , Ken-Tye Yong , Yuanyuan Wei , Ho-Pui Ho

Lipid nanoparticles (LNPs) are vital in modern biomedicine, enabling the effective delivery of mRNA for vaccines and therapies by protecting it from rapid degradation. Among the components of LNPs, ionizable lipids play a key role in RNA…

Machine Learning · Computer Science 2024-12-03 Yuxuan Ou , Jingyi Zhao , Austin Tripp , Morteza Rasoulianboroujeni , José Miguel Hernández-Lobato

Lipid nanoparticles (LNPs) are a leading platform in the delivery of RNA-based therapeutics, playing a pivotal role in the clinical success of mRNA vaccines and other nucleic acid drugs. Their performance in RNA encapsulation and delivery…

Soft Condensed Matter · Physics 2025-08-05 Xuan Bai , Yu Lu , Tianhao Yu , Kangjie Lv , Cai Yao , Feng Shi , Andong Liu , Kai Wang , Wenshou Wang , Chris Lai

Liver infection is a common disease, which poses a great threat to human health, but there is still able to identify an optimal technique that can be used on large-level screening. This paper deals with ML algorithms using different data…

Machine Learning · Computer Science 2023-05-16 P. Deivendran , S. Selvakanmani , S. Jegadeesan , V. Vinoth Kumar

Designing RNA molecules has garnered recent interest in medicine, synthetic biology, biotechnology and bioinformatics since many functional RNA molecules were shown to be involved in regulatory processes for transcription, epigenetics and…

Machine Learning · Computer Science 2019-04-15 Frederic Runge , Danny Stoll , Stefan Falkner , Frank Hutter

We present a Quality by Design (QbD) styled approach for optimizing lipid nanoparticle (LNP) formulations, aiming to offer scientists an accessible workflow. The inherent restriction in these studies, where the molar ratios of ionizable,…

Applications · Statistics 2023-11-14 Andrew T. Karl , Sean Essex , James Wisnowski , Heath Rushing

Deep Neural Networks (DNNs) have achieved great success in a variety of machine learning (ML) applications, delivering high-quality inferencing solutions in computer vision, natural language processing, and virtual reality, etc. However,…

Machine Learning · Computer Science 2022-08-29 Xiaofan Zhang , Yao Chen , Cong Hao , Sitao Huang , Yuhong Li , Deming Chen

The tasks of designing RNAs are discrete optimization problems, and several versions of these problems are NP-hard. As an alternative to commonly used local search methods, we formulate these problems as continuous optimization and develop…

Biomolecules · Quantitative Biology 2024-03-04 Ning Dai , Wei Yu Tang , Tianshuo Zhou , David H. Mathews , Liang Huang

Targeting RNA with small molecules offers significant therapeutic potential. Machine learning could substantially accelerate preclinical drug discovery, from hit identification to lead optimization. Yet a fundamental limitation emerges:…

Biomolecules · Quantitative Biology 2025-12-18 Wissam Karroucha , Carlos Oliver , Veronique Stoven , Vincent Mallet

Intra-body nanonetworks hold promise for advancing targeted drug delivery (TDD) systems through molecular communications (MC). In the baseline MC-TDD system, drug-loaded nanomachines (DgNs) are positioned near the infected tissues to…

Emerging Technologies · Computer Science 2024-09-30 Ethungshan Shitiri , Akarsh Yadav , Sergi Abadal , Eduard Alarcón , Ho-Shin Cho

Machine learning methods have shown promise in predicting molecular properties, and given sufficient training data machine learning approaches can enable rapid high-throughput virtual screening of large libraries of compounds. Graph-based…

Our world is ambiguous and this is reflected in the data we use to train our algorithms. This is particularly true when we try to model natural processes where collected data is affected by noisy measurements and differences in measurement…

Machine Learning · Computer Science 2023-07-19 Jörg K. H. Franke , Frederic Runge , Frank Hutter

State-of-the-art Neural Network Architectures (NNAs) are challenging to design and implement efficiently in hardware. In the past couple of years, this has led to an explosion in research and development of automatic Neural Architecture…

Neural and Evolutionary Computing · Computer Science 2020-09-15 Philip Colangelo , Oren Segal , Alex Speicher , Martin Margala

Delay Tolerant Networks (DTNs) are critical for emergency communication in highly dynamic and challenging scenarios characterized by intermittent connectivity, frequent disruptions, and unpredictable node mobility. While some protocols are…

Networking and Internet Architecture · Computer Science 2025-09-16 Zhekun Huang , Milena Radenkovic

Multi-plane light converter (MPLC) designs supporting hundreds of modes are attractive in high-throughput optical communications. These photonic structures typically comprise >10 phase masks in free space, with millions of independent…

Signal Processing · Electrical Eng. & Systems 2023-04-14 Zheyuan Zhu , Joe H. Doerr , Guifang Li , Shuo Pang
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