Machine Learning-Driven Advancements in Liposomal Formulations for Targeted Drug Delivery: A Narrative Literature Review.

Benyamin Hoseini, Mahmoud Reza Jaafari, Amin Golabpour, Zahra Rahmatinejad, Maryam Karimi, Saeid Eslami
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Abstract

Nanoliposomal formulations, utilizing lipid bilayers to encapsulate therapeutic agents, hold promise for targeted drug delivery. Recent studies have explored the application of machine learning (ML) techniques in this field. This study aims to elucidate the motivations behind integrating ML into liposomal formulations, providing a nuanced understanding of its applications and highlighting potential advantages. The review begins with an overview of liposomal formulations and their role in targeted drug delivery. It then systematically progresses through current research on ML in this area, discussing the principles guiding ML adaptation for liposomal preparation and characterization. Additionally, the review proposes a conceptual model for effective ML incorporation. The review explores popular ML techniques, including ensemble learning, decision trees, instance- based learning, and neural networks. It discusses feature extraction and selection, emphasizing the influence of dataset nature and ML method choice on technique relevance. The review underscores the importance of supervised learning models for structured liposomal formulations, where labeled data is essential. It acknowledges the merits of K-fold cross-validation but notes the prevalent use of single train/test splits in liposomal formulation studies. This practice facilitates the visualization of results through 3D plots for practical interpretation. While highlighting the mean absolute error as a crucial metric, the review emphasizes consistency between predicted and actual values. It clearly demonstrates ML techniques' effectiveness in optimizing critical formulation parameters such as encapsulation efficiency, particle size, drug loading efficiency, polydispersity index, and liposomal flux. In conclusion, the review navigates the nuances of various ML algorithms, illustrating ML's role as a decision support system for liposomal formulation development. It proposes a structured framework involving experimentation, physicochemical analysis, and iterative ML model refinement through human-centered evaluation, guiding future studies. Emphasizing meticulous experimentation, interdisciplinary collaboration, and continuous validation, the review advocates seamless ML integration into liposomal drug delivery research for robust advancements. Future endeavors are encouraged to uphold these principles.

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机器学习驱动的靶向给药脂质体制剂的进步:叙述性文献综述。
利用脂质双层膜包裹治疗药物的纳米脂质体制剂有望实现靶向给药。最近的研究探索了机器学习(ML)技术在这一领域的应用。本研究旨在阐明将 ML 集成到脂质体制剂中的动机,提供对其应用的细致理解,并强调其潜在优势。综述首先概述了脂质体制剂及其在靶向给药中的作用。然后,系统地介绍了该领域目前对 ML 的研究,讨论了指导 ML 适应脂质体制备和表征的原则。此外,该综述还提出了有效结合 ML 的概念模型。综述探讨了流行的 ML 技术,包括集合学习、决策树、基于实例的学习和神经网络。它讨论了特征提取和选择,强调了数据集性质和 ML 方法选择对技术相关性的影响。综述强调了监督学习模型对于结构化脂质体配方的重要性,在这种配方中,标记数据至关重要。它承认 K 倍交叉验证的优点,但指出在脂质体制剂研究中普遍使用单一的训练/测试分割。这种做法有利于通过三维图对结果进行可视化的实际解释。在强调平均绝对误差这一关键指标的同时,综述还强调了预测值与实际值之间的一致性。综述清楚地展示了 ML 技术在优化封装效率、粒度、药物负载效率、多分散指数和脂质体通量等关键制剂参数方面的有效性。总之,综述介绍了各种 ML 算法的细微差别,说明了 ML 作为脂质体制剂开发决策支持系统的作用。它提出了一个结构化框架,包括实验、理化分析以及通过以人为本的评估迭代完善 ML 模型,为未来的研究提供指导。该综述强调细致的实验、跨学科合作和持续验证,主张将 ML 无缝集成到脂质体给药研究中,以实现强劲的进步。我们鼓励未来的努力坚持这些原则。
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