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                <text>Coronavirus</text>
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                <text>Dominio científico: Coronavirus</text>
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              <text>Deep drug-target binding affinity prediction with multiple attention blocks.</text>
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              <text>Yuni Zeng, Xiangru Chen, Yujie Luo, Xuedong Li, Dezhong Peng</text>
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              <text>Drug-target interaction (DTI) prediction has drawn increasing interest due to its substantial position in the drug discovery process. Many studies have introduced computational models to treat DTI prediction as a regression task, which directly predict the binding affinity of drug-target pairs. However, existing studies (i) ignore the essential correlations between atoms when encoding drug compounds and (ii) model the interaction of drug-target pairs simply by concatenation. Based on those observations, in this study, we propose an end-to-end model with multiple attention blocks to predict the binding affinity scores of drug-target pairs. Our proposed model offers the abilities to (i) encode the correlations between atoms by a relation-aware self-attention block and (ii) model the interaction of drug representations and target representations by the multi-head attention block. Experimental results of DTI prediction on two benchmark datasets show our approach outperforms existing methods, which are benefit from the correlation information encoded by the relation-aware self-attention block and the interaction information extracted by the multi-head attention block. Moreover, we conduct the experiments on the effects of max relative position length and find out the best max relative position length value $k \in \{3, 5\}$. Furthermore, we apply our model to predict the binding affinity of Corona Virus Disease 2019 (COVID-19)-related genome sequences and $3137$ FDA-approved drugs.</text>
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              <text>2021</text>
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          <name>Subject</name>
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              <text>covid-19, deep learning, drug-target interaction, self-attention</text>
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          <name>Identifier</name>
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              <text>10.1093/bib/bbab117</text>
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          <name>Source</name>
          <description>A related resource from which the described resource is derived</description>
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              <text>Briefings in bioinformatics</text>
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