LSTM-SAGDTA: Predicting Drug-target Binding Affinity with an Attention Graph Neural Network and LSTM Approach


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Abstract

Introduction:Drug development is a challenging and costly process, yet it plays a crucial role in improving healthcare outcomes. Drug development requires extensive research and testing to meet the demands for economic efficiency, cures, and pain relief.

Methods:Drug development is a vital research area that necessitates innovation and collaboration to achieve significant breakthroughs. Computer-aided drug design provides a promising avenue for drug discovery and development by reducing costs and improving the efficiency of drug design and testing.

Results:In this study, a novel model, namely LSTM-SAGDTA, capable of accurately predicting drug-target binding affinity, was developed. We employed SeqVec for characterizing the protein and utilized the graph neural networks to capture information on drug molecules. By introducing self-attentive graph pooling, the model achieved greater accuracy and efficiency in predicting drug-target binding affinity.

Conclusion:Moreover, LSTM-SAGDTA obtained superior accuracy over current state-of-the-art methods only by using less training time. The results of experiments suggest that this method represents a highprecision solution for the DTA predictor.

About the authors

Wenjing Qiu

School of Information Engineering, Jingdezhen Ceramic University

Email: info@benthamscience.net

Qianle Liang

School of Information Engineering, Jingdezhen Ceramic University

Email: info@benthamscience.net

Liyi Yu

School of Information Engineering, Jingdezhen Ceramic University

Email: info@benthamscience.net

Xuan Xiao

School of Information Engineering, Jingdezhen Ceramic University

Email: info@benthamscience.net

Wangren Qiu

School of Information Engineering, Jingdezhen Ceramic University

Email: info@benthamscience.net

Weizhong Lin

School of Information Engineering, Jingdezhen Ceramic University

Author for correspondence.
Email: info@benthamscience.net

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