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ABCnet : Self-Attention based Atom, Bond Message Passing Network for Predicting Drug-Target Interaction

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By SungEun Hong, Segyu Lee, Junil Bang, Woojung Jang
| biorxiv.org
New Results Segyu Lee, Junil Bang, Sungeun Hong, Woojung Jang doi: https://doi.org/10.1101/2021.12.27.474154 Abstract Drug-target interaction (DTI) is a methodology for predicting the binding affinity between a compound and a target protein, and a key technology in the derivation of candidate substances in drug discovery. As DTI experiments have progressed for a long time, a substantial volume of chemical, biomedical, and pharmaceutical data have accumulated.
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