Predicting drug–target binding affinity through molecule representation block based on multi-head attention and skip connection
… removing skip connection in Trans block, we verified that Trans block and skip connection
… In case studies, we firstly employed MRBDTA to predict binding affinities between Food and …
… In case studies, we firstly employed MRBDTA to predict binding affinities between Food and …
Graph Convolutional Neural Networks for Drug Target Affinity Prediction in U-Shaped and Skip-Connection Architectures
J Chen, X Dong, Z Yang - … Signal Processing and Deep Learning: Images …, 2023 - Springer
… Skip connection architecture to enable the model to understand deeper graph information.
The novelty of this method is the use of skip connections … drug target affinity prediction strategy …
The novelty of this method is the use of skip connections … drug target affinity prediction strategy …
Predicting pHLA Binding Affinity Using CNN with Step Connections
S Peng, X Peng, D Yang, Y Zhou - International Conference on Computer …, 2023 - Springer
… To verify the improvement of CNN model performance in pHLA binding affinity prediction
through skip connection techniques, we will construct binary classification models for the 9-mer …
through skip connection techniques, we will construct binary classification models for the 9-mer …
DeepDTAF: a deep learning method to predict protein–ligand binding affinity
… binding affinity by experiments. At present, many computational methods have been proposed
to predict binding affinity, … to predict protein–ligand binding affinity and accelerate the drug …
to predict binding affinity, … to predict protein–ligand binding affinity and accelerate the drug …
Binding affinity prediction for protein–ligand complex using deep attention mechanism based on intermolecular interactions
… accuracy of protein–ligand complex binding affinity. The proposed model has two … for
binding affinity prediction. The proposed model performed better than existing binding affinity …
binding affinity prediction. The proposed model performed better than existing binding affinity …
SkipGNN: predicting molecular interactions with skip-graph networks
… Notably, there are recent advancements in GNN such as MixHop 11 , JK-Net 34 which are
designed to capture higher order graph structures through skip connections and higher order …
designed to capture higher order graph structures through skip connections and higher order …
Improved protein–ligand binding affinity prediction with structure-based deep fusion inference
… connected layers (3) without using skip connections, and (4) fusing two different 3D-CNNs,
each of which is trained with a different voxel grid to enable multiscale feature extraction. We …
each of which is trained with a different voxel grid to enable multiscale feature extraction. We …
Extended connectivity interaction features: improving binding affinity prediction through chemical description
… Its main goals are both the prediction of the binding pose and the binding affinity of a small
molecule to a macromolecular target, often a protein. A number of works in this field have …
molecule to a macromolecular target, often a protein. A number of works in this field have …
Drug-target binding affinity prediction using message passing neural network and self supervised learning
L Xia, L Xu, S Pan, D Niu, B Zhang, Z Li - BMC genomics, 2023 - Springer
… Our model could predict binding affinity with high accuracy which mainly depended on
two major advantages of the model. First, the undirected-CMPNN fully takes into account the …
two major advantages of the model. First, the undirected-CMPNN fully takes into account the …
DDAffinity: predicting the changes in binding affinity of multiple point mutations using protein 3D structure
G Yu, Q Zhao, X Bi, J Wang - Bioinformatics, 2024 - academic.oup.com
… To prevent gradients vanishing when network going deeper or using max-pooling
operation, we add skip connection between the input and output of structure encoder to avoid …
operation, we add skip connection between the input and output of structure encoder to avoid …
相关搜索
- binding affinity prediction
- protein ligand binding affinity
- drug target binding affinity
- ligand binding affinity cross-attention mechanism
- accurate binding affinity prediction scoring functions
- self attention binding affinity prediction model
- skip connection multi-head attention
- skip connection graph convolutional neural networks
- mutual information binding affinity prediction model
- skip connection drug target affinity prediction
- skip connection predicting drug
- binding affinity attention model