深度学习在预测HIV-1蛋白酶裂解位点中的应用

Xinyu Lu, Lifang Wang, Zejun Jiang
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引用次数: 3

摘要

HIV-1蛋白酶裂解位点对HIV-1蛋白酶抑制剂的设计至关重要。基于传统机器学习的分类算法通常用于预测HIV-1蛋白酶的裂解位点。与机器学习的分类算法不同,基于深度学习的分类算法可以很好地提取数据的特征,获得更好的性能。本文创新性地将HIV-1蛋白酶裂解位点数据转化为One-hot数据,提出了基于RNN和LSTM的两种较好的分类模型。最后,将实验结果与传统机器学习算法中的支持向量机算法和随机森林算法进行了比较。结果表明,本文设计的基于深度学习的网络结构在对HIV-1蛋白酶裂解位点数据进行One-hot编码后,可以达到比传统算法更高的准确率,且RNN和LSTM的效果突出。此外,本文基于rnn的分类器和基于lstm的分类器具有比CNN更好的召回率和F1-Measure,具有较高的泛化能力。
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The Application of Deep Learning in the Prediction of HIV-1 Protease Cleavage Site
HIV-1 protease cleavage site is critical for the design of HIV-1 protease inhibitors. Classification algorithms based on traditional machine learning are often used to deal with the prediction of HIV-1 protease cleavage sites. Unlike the classification algorithms of machine learning, the classification algorithms based on deep learning can extract the characteristics of the data well and get better performance. In this paper, HIV-1 protease cleavage site data is innovatively converted to One-hot data, and then two better classification models are proposed based on RNN and LSTM. At last, the experimental results are compared with the support vector machine algorithm and the random forest algorithm in traditional machine learning algorithm. The results show that the network structure based on deep learning designed in this paper can achieve higher accuracy than traditional algorithms after the HIV-1 protease cleavage site data is One-hot encoded, and the effects of RNN and LSTM are outstanding. Furthermore, the RNN-based classifier and LSTM-based classifier in this paper have much better Recall rate and F1-Measure than CNN and have high generalization ability.
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