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用于预测尤纳尼配方治疗用途以寻找关键化合物的深度学习方法。

Deep Learning Approach for Predicting the Therapeutic Usages of Unani Formulas towards Finding Essential Compounds.

作者信息

Wijaya Sony Hartono, Nasution Ahmad Kamal, Batubara Irmanida, Gao Pei, Huang Ming, Ono Naoaki, Kanaya Shigehiko, Altaf-Ul-Amin Md

机构信息

Department of Computer Science, Faculty of Mathematics and Natural Sciences, IPB University, Bogor 16680, Indonesia.

Computational Systems Biology Lab, Graduate School of Science and Technology, Nara Institute of Science and Technology, Nara 630-0101, Japan.

出版信息

Life (Basel). 2023 Feb 3;13(2):439. doi: 10.3390/life13020439.

Abstract

The use of herbal medicines in recent decades has increased because their side effects are considered lower than conventional medicine. Unani herbal medicines are often used in Southern Asia. These herbal medicines are usually composed of several types of medicinal plants to treat various diseases. Research on herbal medicine usually focuses on insight into the composition of plants used as ingredients. However, in the present study, we extended to the level of metabolites that exist in the medicinal plants. This study aimed to develop a predictive model of the Unani therapeutic usage based on its constituent metabolites using deep learning and data-intensive science approaches. Furthermore, the best prediction model was then utilized to extract important metabolites for each therapeutic usage of Unani. In this study, it was observed that the deep neural network approach provided a much better prediction model than other algorithms including random forest and support vector machine. Moreover, according to the best prediction model using the deep neural network, we identified 118 important metabolites for nine therapeutic usages of Unani.

摘要

近几十年来,草药的使用有所增加,因为人们认为其副作用低于传统药物。尤纳尼草药常用于南亚地区。这些草药通常由几种药用植物组成,用于治疗各种疾病。对草药的研究通常侧重于深入了解用作成分的植物的组成。然而,在本研究中,我们将研究扩展到了药用植物中存在的代谢物水平。本研究旨在使用深度学习和数据密集型科学方法,基于其组成代谢物开发尤纳尼治疗用途的预测模型。此外,然后利用最佳预测模型为尤纳尼的每种治疗用途提取重要的代谢物。在本研究中,观察到深度神经网络方法提供了比包括随机森林和支持向量机在内的其他算法更好的预测模型。此外,根据使用深度神经网络的最佳预测模型,我们为尤纳尼的九种治疗用途确定了118种重要的代谢物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3282/9959740/7a7ba492df9f/life-13-00439-g001.jpg

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