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可解释的深度学习框架,用于预测植物小分泌肽。

ExamPle: explainable deep learning framework for the prediction of plant small secreted peptides.

机构信息

School of Software, Shandong University, Jinan 250101, China.

Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR), Shandong University, Jinan 250101, China.

出版信息

Bioinformatics. 2023 Mar 1;39(3). doi: 10.1093/bioinformatics/btad108.

DOI:10.1093/bioinformatics/btad108
PMID:36897030
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10027287/
Abstract

MOTIVATION

Plant Small Secreted Peptides (SSPs) play an important role in plant growth, development, and plant-microbe interactions. Therefore, the identification of SSPs is essential for revealing the functional mechanisms. Over the last few decades, machine learning-based methods have been developed, accelerating the discovery of SSPs to some extent. However, existing methods highly depend on handcrafted feature engineering, which easily ignores the latent feature representations and impacts the predictive performance.

RESULTS

Here, we propose ExamPle, a novel deep learning model using Siamese network and multi-view representation for the explainable prediction of the plant SSPs. Benchmarking comparison results show that our ExamPle performs significantly better than existing methods in the prediction of plant SSPs. Also, our model shows excellent feature extraction ability. Importantly, by utilizing in silicomutagenesis experiment, ExamPle can discover sequential characteristics and identify the contribution of each amino acid for the predictions. The key novel principle learned by our model is that the head region of the peptide and some specific sequential patterns are strongly associated with the SSPs' functions. Thus, ExamPle is expected to be a useful tool for predicting plant SSPs and designing effective plant SSPs.

AVAILABILITY AND IMPLEMENTATION

Our codes and datasets are available at https://github.com/Johnsunnn/ExamPle.

摘要

动机

植物小分泌肽(SSP)在植物生长、发育和植物-微生物相互作用中起着重要作用。因此,鉴定 SSP 对于揭示其功能机制至关重要。在过去的几十年中,基于机器学习的方法已经被开发出来,在一定程度上加速了 SSP 的发现。然而,现有的方法高度依赖于手工制作的特征工程,这容易忽略潜在的特征表示,并影响预测性能。

结果

在这里,我们提出了一种新的深度学习模型 ExamPle,该模型使用孪生网络和多视图表示进行植物 SSP 的可解释预测。基准比较结果表明,我们的 ExamPle 在植物 SSP 的预测中明显优于现有方法。此外,我们的模型还具有出色的特征提取能力。重要的是,通过利用硅诱变实验,ExamPle 可以发现序列特征,并确定每个氨基酸对预测的贡献。我们的模型学习到的关键新原理是,肽的头部区域和一些特定的序列模式与 SSP 的功能密切相关。因此,ExamPle 有望成为预测植物 SSP 和设计有效植物 SSP 的有用工具。

可用性和实现

我们的代码和数据集可在 https://github.com/Johnsunnn/ExamPle 上获得。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/01ac2078569a/btad108f6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/1c26edf28f37/btad108f1.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/8aeb09dcfef1/btad108f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/fdb7fb86fc50/btad108f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/ee4974592b76/btad108f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/01ac2078569a/btad108f6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/1c26edf28f37/btad108f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/26f7562344d6/btad108f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/8aeb09dcfef1/btad108f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/fdb7fb86fc50/btad108f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/ee4974592b76/btad108f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0d9/10027287/01ac2078569a/btad108f6.jpg

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