Dataset Information

Dipeptide Frequency of Word Frequency and Graph Convolutional Networks for DTA Prediction.

ABSTRACT: Deep learning is an effective method to capture drug-target binding affinity, but low accuracy is still an obstacle to be overcome. Thus, we propose a novel predictor for drug-target binding affinity based on dipeptide frequency of word frequency encoding and a hybrid graph convolutional network. Word frequency characteristics of natural language are used to improve the frequency characteristics of peptides to express target proteins. For each drug molecules, the five different features of drug atoms and the atomic bond relationships are expressed as graphs. The obtained protein features and graph structure are used as the input of convolution neural network and the input of graph convolution neural network, respectively. A prediction model is established to predict the drug affinity by calculating the hidden relationship. In the KIBA data set test experiment, the consistency coefficient of the model is 0.901, which is 0.01 higher than the existing model, and the MSE (mean square error) of the model is 0.126, which is 5% lower than the existing model. In Davis data set test experiment, the consistency coefficient of the model is 0.895, which is 0.006 higher than the existing model, and the MSE of the model is 0.220, which is 4% lower than the existing model. These results show that our proposed method can not only predict the affinity better than those existing models, but also outperform unitary deep learning approaches.

SUBMITTER: Wang X

PROVIDER: S-EPMC7147459 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature

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Publications

Dipeptide Frequency of Word Frequency and Graph Convolutional Networks for DTA Prediction.

Wang Xianfang X Liu Yifeng Y Lu Fan F Li Hongfei H Gao Peng P Wei Dongqing D

Frontiers in bioengineering and biotechnology 20200403

Deep learning is an effective method to capture drug-target binding affinity, but low accuracy is still an obstacle to be overcome. Thus, we propose a novel predictor for drug-target binding affinity based on dipeptide frequency of word frequency encoding and a hybrid graph convolutional network. Word frequency characteristics of natural language are used to improve the frequency characteristics of peptides to express target proteins. For each drug molecules, the five different features of drug ...[more]

PMID: 32318557

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Project description:Epilepsy is a chronic brain disease that causes persistent and severe damage to the physical and mental health of patients. Daily effective prediction of epileptic seizures is crucial for epilepsy patients especially those with refractory epilepsy. At present, a large number of deep learning algorithms such as Convolutional Neural Networks and Recurrent Neural Networks have been used to predict epileptic seizures and have obtained better performance than traditional machine learning methods. However, these methods usually transform the Electroencephalogram (EEG) signal into a Euclidean grid structure. The conversion suffers from loss of adjacent spatial information, which results in deep learning models requiring more storage and computational consumption in the process of information fusion after information extraction. This study proposes a general Graph Convolutional Networks (GCN) model architecture for predicting seizures to solve the problem of oversized seizure prediction models based on exploring the graph structure of EEG signals. As a graph classification task, the network architecture includes graph convolution layers that extract node features with one-hop neighbors, pooling layers that summarize abstract node features; and fully connected layers that implement classification, resulting in superior prediction performance and smaller network size. The experiment shows that the model has an average sensitivity of 96.51%, an average AUC of 0.92, and a model size of 15.5 k on 18 patients in the CHB-MIT scalp EEG dataset. Compared with traditional deep learning methods, which require a large number of parameters and computational effort and are demanding in terms of storage space and energy consumption, this method is more suitable for implementation on compact, low-power wearable devices as a standard process for building a generic low-consumption graph network model on similar biomedical signals. Furthermore, the edge features of graphs can be used to make a preliminary determination of locations and types of discharge, making it more clinically interpretable.

Dataset Information

Dipeptide Frequency of Word Frequency and Graph Convolutional Networks for DTA Prediction.

Publications

Dipeptide Frequency of Word Frequency and Graph Convolutional Networks for DTA Prediction.

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