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 …
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 …
MFR-DTA: a multi-functional and robust model for predicting drug–target binding affinity and region
Motivation Recently, deep learning has become the mainstream methodology for drug–
target binding affinity prediction. However, two deficiencies of the existing methods restrict …
target binding affinity prediction. However, two deficiencies of the existing methods restrict …
DTi2Vec: Drug–target interaction prediction using network embedding and ensemble learning
Drug–target interaction (DTI) prediction is a crucial step in drug discovery and repositioning
as it reduces experimental validation costs if done right. Thus, developing in-silico methods …
as it reduces experimental validation costs if done right. Thus, developing in-silico methods …
Deep-learning-based drug–target interaction prediction
Identifying interactions between known drugs and targets is a major challenge in drug
repositioning. In silico prediction of drug–target interaction (DTI) can speed up the expensive …
repositioning. In silico prediction of drug–target interaction (DTI) can speed up the expensive …
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 …
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 …
GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores
Drug-target affinity prediction is a challenging task in drug discovery. The latest
computational models have limitations in mining edge information in molecule graphs …
computational models have limitations in mining edge information in molecule graphs …
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 …
Fusion-based deep learning architecture for detecting drug-target binding affinity using target and drug sequence and structure
Accurately predicting drug-target binding affinity plays a vital role in accelerating drug
discovery. Many computational approaches have been proposed due to costly and time …
discovery. Many computational approaches have been proposed due to costly and time …
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