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 …
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
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 …
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
Exiting computational models for drug–target binding affinity prediction have much room for
improvement in prediction accuracy, robustness and generalization ability. Most deep …
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
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 …
design. Traditional experiments are very expensive and time-consuming. Recently, deep …
AttentionDTA: prediction of drug–target binding affinity using attention model
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 …
important role in virtual screening of drug discovery. DTI prediction, which have been treated …
DeepDTA: deep drug–target binding affinity prediction
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 …
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 …
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
Identifying drug-target affinity (DTA) has great practical importance in the process of
designing efficacious drugs for known diseases. Recently, numerous deep learning-based …
designing efficacious drugs for known diseases. Recently, numerous deep learning-based …
Hierarchical graph representation learning for the prediction of drug-target binding affinity
Computationally predicting drug-target binding affinity (DTA) has attracted increasing
attention due to its benefit for accelerating drug discovery. Currently, numerous deep …
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
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 …
drug screening. Most DTI prediction methods cast the problem as a binary classification task …
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