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多党派和药物相互作用建模的网络嵌入

Network embeddings for modeling polypharmacy and drug-drug interactions
课程网址: http://videolectures.net/icgeb_zitnik_network_embeddings/  
主讲教师: Marinka Žitnik
开课单位: 斯坦福大学计算机科学系
开课时间: 2019-09-19
课程语种: 英语
中文简介:
多药性,即药物组合的使用,是治疗复杂或共存疾病患者的常见方法。然而,多药性的一个主要后果是产生副作用的高风险,这是由于药物与药物的相互作用而产生的,在这种相互作用中,一种药物与另一种药物的活性会发生变化。此外,多药疗法被认为是医疗保健系统中一个日益严重的问题,影响到近15%的美国人口,仅在美国一年就要花费超过1770亿美元来治疗副作用。在本次演讲中,我将描述多党派大规模预测建模的方法。我们首先捕获美国所有处方药物的分子、药物和患者数据。这些数据用蛋白质-蛋白质相互作用、药物-蛋白质靶点相互作用和多药副作用的大规模多模式网络表示。然后,我将描述一种网络嵌入方法,该方法将此类多模式网络中的节点嵌入到优化的低维向量空间中。在这里,我将概述网络嵌入学习的关键进展,重点是这些进展在计算生物学中带来的新机遇。最后,我将展示如何首次使用该方法预测药物组合的安全性和副作用,以及如何使用真实患者数据在临床验证预测。
课程简介: Polypharmacy, the use of drug combinations, is common to treat patients with complex or co-existing diseases. However, a major consequence of polypharmacy is a high risk of adverse side effects, which emerge because of drug-drug interactions, in which activity of one drug changes if taken with another drug. Furthermore, polypharmacy is recognized as an increasingly serious problem in the health care system affecting nearly 15% of the U.S. population and costing more than $177 billion a year in the U.S. alone in treating side effects. In this talk, I will describe the methodology for large-scale predictive modeling of polypharmacy. We start by capturing molecular, drug, and patient data for all drugs prescribed in the U.S. These data are represented with a massively multimodal network of protein-protein interactions, drug-protein target interactions, and polypharmacy side effects. I will then describe a network embedding approach that embeds nodes in such multimodal networks into optimized low-dimensional vector spaces. Here, I will outline key advancements in learning embeddings for networks, with an emphasis on fundamentally new opportunities in computational biology enabled by these advancements. Finally, I will show how we can use the approach to, for the first time, predict safety and side effects of drug combinations and how we can validate predictions in the clinic using real patient data.
关 键 词: 多党派和药物相互作用; 数据科学; 建模的网络嵌入; 预测药物组合的安全性和副作用; 网络嵌入方法
课程来源: 视频讲座网
数据采集: 2022-10-14:cyh
最后编审: 2022-10-14:cyh
阅读次数: 32