使用语义图和函数相似性表示学习对异质信息网络进行药物疾病关联预测
Bo-Wei Zhao1, Xiao-Rui Su1, Yue Yang1
1The Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, Urumqi 830011, China; University of Chinese Academy of Sciences, Beijing 100049, China; Xinjiang Laboratory of Minority Speech and Language Information Processing, Urumqi 830011, China.
Methods (San Diego, Calif.)
|November 16, 2023
概括
通过使用语义图表和功能相似性,SFRLDDA通过预测药物和疾病之间的关联来增强药物发现. 这种计算模型提高了识别新药指示的准确性.
科学领域:
- 计算生物学是一种计算生物学.
- 药物发现 药物发现
- 生物信息学是一种生物信息学.
背景情况:
- 发现现有药物的新指示对于药物开发至关重要.
- 当前的方法往往忽略了生物网络中的更高阶连接性,从而限制了预测的准确性.
- 将多样化的生物知识整合到网络模型中,对于改善药物疾病关联预测至关重要.
研究的目的:
- 提出SFRLDDA,一种用于预测药物疾病关联 (DDAs) 的新型计算模型.
- 在异质信息网络 (HIN) 中利用语义图和函数相似性表示学习.
- 提高识别潜在DDA的准确性和全面性.
主要方法:
- 建立了一个异构的信息网络 (HIN),将药物-疾病,药物-蛋白质和蛋白质-疾病的关联与生物知识相结合.
- 应用表示学习策略到语义图和功能相似度图,用于药物和疾病特征提取.
- 利用随机森林分类器来预测潜在的药物疾病关联 (DDA).
主要成果:
- 与最先进的模型相比,SFRLDDA在三个基准数据集上表现优越.
- 该模型在预测药物疾病关联方面取得了很高的准确性.
- 案例研究证实了该模型能够准确预测DDAs的能力.
结论:
- 通过将语义和功能相似之处整合到HIN中,SFRLDDA有效地预测了药物和疾病的关联.
- 该模型提供了一种全面的方法来发现新的药物适用性.
- 这种计算策略对推进药物研发具有重大前景.
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