FusionDTA: attention-based feature polymerizer and knowledge distillation for drug-target binding affinity prediction

W Yuan, G Chen, CYC Chen - Briefings in Bioinformatics, 2022 - academic.oup.com
The prediction of drug-target affinity (DTA) plays an increasingly important role in drug
discovery. Nowadays, lots of prediction methods focus on feature encoding of drugs and …

DeepFusionDTA: drug-target binding affinity prediction with information fusion and hybrid deep-learning ensemble model

Y Pu, J Li, J Tang, F Guo - IEEE/ACM Transactions on …, 2021 - ieeexplore.ieee.org
Identification of drug-target interaction (DTI) is the most important issue in the broad field of
drug discovery. Using purely biological experiments to verify drug-target binding profiles …

Predicting drug–target binding affinity through molecule representation block based on multi-head attention and skip connection

L Zhang, CC Wang, X Chen - Briefings in Bioinformatics, 2022 - academic.oup.com
Exiting computational models for drug–target binding affinity prediction have much room for
improvement in prediction accuracy, robustness and generalization ability. Most deep …

[HTML][HTML] AttentionMGT-DTA: A multi-modal drug-target affinity prediction using graph transformer and attention mechanism

H Wu, J Liu, T Jiang, Q Zou, S Qi, Z Cui, P Tiwari… - Neural Networks, 2024 - Elsevier
The accurate prediction of drug-target affinity (DTA) is a crucial step in drug discovery and
design. Traditional experiments are very expensive and time-consuming. Recently, deep …

AttentionDTA: prediction of drug–target binding affinity using attention model

Q Zhao, F Xiao, M Yang, Y Li… - 2019 IEEE international …, 2019 - ieeexplore.ieee.org
In bioinformatics, machine learning-based prediction of drug-target interaction (DTI) plays an
important role in virtual screening of drug discovery. DTI prediction, which have been treated …

DeepDTA: deep drug–target binding affinity prediction

H Öztürk, A Özgür, E Ozkirimli - Bioinformatics, 2018 - academic.oup.com
Motivation The identification of novel drug–target (DT) interactions is a substantial part of the
drug discovery process. Most of the computational methods that have been proposed to …

NHGNN-DTA: a node-adaptive hybrid graph neural network for interpretable drug–target binding affinity prediction

H He, G Chen, CYC Chen - Bioinformatics, 2023 - academic.oup.com
Motivation Large-scale prediction of drug–target affinity (DTA) plays an important role in
drug discovery. In recent years, machine learning algorithms have made great progress in …

GSAML-DTA: an interpretable drug-target binding affinity prediction model based on graph neural networks with self-attention mechanism and mutual information

J Liao, H Chen, L Wei, L Wei - Computers in biology and medicine, 2022 - Elsevier
Identifying drug-target affinity (DTA) has great practical importance in the process of
designing efficacious drugs for known diseases. Recently, numerous deep learning-based …

Hierarchical graph representation learning for the prediction of drug-target binding affinity

Z Chu, F Huang, H Fu, Y Quan, X Zhou, S Liu… - Information …, 2022 - Elsevier
Computationally predicting drug-target binding affinity (DTA) has attracted increasing
attention due to its benefit for accelerating drug discovery. Currently, numerous deep …

Affinity2Vec: drug-target binding affinity prediction through representation learning, graph mining, and machine learning

MA Thafar, M Alshahrani, S Albaradei, T Gojobori… - Scientific reports, 2022 - nature.com
Drug-target interaction (DTI) prediction plays a crucial role in drug repositioning and virtual
drug screening. Most DTI prediction methods cast the problem as a binary classification task …