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蛋白推断,用于蛋白质功能推断的深度神经网络。

ProteInfer, deep neural networks for protein functional inference.

机构信息

The Francis Crick Institute, London, United Kingdom.

Google AI, Boston, United States.

出版信息

Elife. 2023 Feb 27;12:e80942. doi: 10.7554/eLife.80942.

Abstract

Predicting the function of a protein from its amino acid sequence is a long-standing challenge in bioinformatics. Traditional approaches use sequence alignment to compare a query sequence either to thousands of models of protein families or to large databases of individual protein sequences. Here we introduce ProteInfer, which instead employs deep convolutional neural networks to directly predict a variety of protein functions - Enzyme Commission (EC) numbers and Gene Ontology (GO) terms - directly from an unaligned amino acid sequence. This approach provides precise predictions which complement alignment-based methods, and the computational efficiency of a single neural network permits novel and lightweight software interfaces, which we demonstrate with an in-browser graphical interface for protein function prediction in which all computation is performed on the user's personal computer with no data uploaded to remote servers. Moreover, these models place full-length amino acid sequences into a generalised functional space, facilitating downstream analysis and interpretation. To read the interactive version of this paper, please visit https://google-research.github.io/proteinfer/.

摘要

从氨基酸序列预测蛋白质的功能是生物信息学中的一个长期挑战。传统的方法是使用序列比对,将查询序列与蛋白质家族的数千个模型或单个蛋白质序列的大型数据库进行比较。在这里,我们介绍 ProteInfer,它使用深度卷积神经网络直接从未对齐的氨基酸序列预测各种蛋白质功能——酶委员会 (EC) 编号和基因本体 (GO) 术语。这种方法提供了精确的预测,补充了基于比对的方法,并且单个神经网络的计算效率允许新的轻量级软件接口,我们通过一个在浏览器中的图形界面来演示蛋白质功能预测,其中所有计算都在用户的个人计算机上进行,没有数据上传到远程服务器。此外,这些模型将全长氨基酸序列放入通用功能空间,便于下游分析和解释。要阅读本文的交互式版本,请访问 https://google-research.github.io/proteinfer/。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eb24/10063232/d52f78512519/elife-80942-fig1.jpg

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