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https://doi.org/10.5121/csit.2...
Article . 2022 . Peer-reviewed
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2022
License: CC BY NC SA
Data sources: Datacite
DBLP
Preprint . 2022
Data sources: DBLP
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GDGRU-DTA: Predicting Drug-Target Binding Affinity based on GNN and Double GRU

Authors: Zhijian Lyu; Shaohua Jiang; Yigao Liang; Min Gao;

GDGRU-DTA: Predicting Drug-Target Binding Affinity based on GNN and Double GRU

Abstract

The work for predicting drug and target affinity(DTA) is crucial for drug development and repurposing. In this work, we propose a novel method called GDGRU-DTA to predict the binding affinity between drugs and targets, which is based on GraphDTA, but we consider that protein sequences are long sequences, so simple CNN cannot capture the context dependencies in protein sequences well. Therefore, we improve it by interpreting the protein sequences as time series and extracting their features using Gate Recurrent Unit(GRU) and Bidirectional Gate Recurrent Unit(BiGRU). For the drug, our processing method is similar to that of GraphDTA, but uses two different graph convolution methods. Subsequently, the representation of drugs and proteins are concatenated for final prediction. We evaluate the proposed model on two benchmark datasets. Our model outperforms some state-of-the-art deep learning methods, and the results demonstrate the feasibility and excellent feature capture ability of our model.

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Keywords

FOS: Computer and information sciences, Computer Science - Machine Learning, Artificial Intelligence (cs.AI), Computer Science - Artificial Intelligence, FOS: Biological sciences, Quantitative Biology - Quantitative Methods, Quantitative Methods (q-bio.QM), Machine Learning (cs.LG)

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    popularity
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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
4
Top 10%
Average
Top 10%
Green