AttentionSiteDTI

AttentionSiteDTI: an interpretable graph-based model for drug-target ...

The self-attention mechanism in the network uses concatenated embeddings of drug–target pairs as input to compute the attention output, which ...

yazdanimehdi/AttentionSiteDTI - GitHub

This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representation of Ligands and ...

AttentionSiteDTI: an interpretable graph-based model for drug-target ...

In this study, we introduce an interpretable graph-based deep learning prediction model, AttentionSiteDTI, which utilizes protein binding ...

AttentionSiteDTI: Attention Based Model for Predicting Drug-Target ...

We introduce and implement a new graph-based prediction model called AttentionSiteDTI. Our proposed model utilize the binding sites (pockets) of the proteins ...

AI-Based Screening Method Could Boost Speed of New Drug ...

The model they've developed, known as AttentionSiteDTI, is the first to be interpretable using the language of protein binding sites. The work is important ...

layers.py - yazdanimehdi/AttentionSiteDTI - GitHub

This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representation of Ligands and ...

HyperAttentionDTI: improving drug–protein interaction prediction by ...

These methods incorporate the attention mechanism to model single non-covalent inter-molecular interactions among drugs and proteins and get ...

AMMVF-DTI: A Novel Model Predicting Drug–Target Interactions ...

We propose a novel end-to-end deep learning model called AMMVF-DTI (attention mechanism and multi-view fusion), which leverages a multi-head self-attention ...

AttentionSiteDTI: an interpretable graph-based model for drug-target ...

... AttentionSiteDTI, which utilizes protein binding sites along with a self-attention mechanism to address the problem of drug–target interaction prediction.

Attention Based Model for Predicting Drug-Target Interaction Using ...

AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using 3D Structure of Protein Binding Sites.

Advancing drug discovery with deep attention neural networks

This review explores the attention mechanism and its extended architectures, including graph attention networks (GATs), transformers, bidirectional encoder ...

In-lab Validation of AttentionSiteDTI in the case study of Covid-19

Download scientific diagram | In-lab Validation of AttentionSiteDTI in the case study of Covid-19 from publication: AttentionSiteDTI: Attention Based Model ...

Drug-Target Interaction Prediction with Graph Attention networks

We present an end-to-end framework, DTI-GAT (Drug-Target Interaction prediction with Graph Attention networks) for DTI predictions.

CAT-DTI: cross-attention and Transformer network with domain ...

We propose CAT-DTI, a model based on cross-attention and Transformer, possessing domain adaptation capability.

AttentionMGT-DTA: A multi-modal drug-target affinity prediction ...

AttentionMGT-DTA represents drugs and targets by a molecular graph and binding pocket graph, respectively. Two attention mechanisms are adopted to integrate ...

Graph Attention Site Prediction (GrASP): Identifying Druggable ...

We present a binding site prediction method called Graph Attention Site Prediction (GrASP) and re-evaluate assumptions in nearly every step in the site ...

MKDTI: Predicting drug-target interactions via multiple kernel fusion ...

We formulate a model called MKDTI by extracting kernel information from various layer embeddings of a graph attention network.

Prediction of Drug-Target Affinity Using Attention Neural Network

We merge drug and target representations by an attention neural network (ANN) to learn drug-target pair representations, which are fed into fully connected ...

Review of: "Interpretable and Generalizable Attention-Based ... - Qeios

2. Summary. This paper introduces a computational prediction framework of drug-target interaction (DTI), referred as AttentionSiteDTI, which is a graph-based ...

GraphATT-DTA: Attention-Based Novel Representation of ... - MDPI

Drug-target binding affinity (DTA) prediction is an essential step in drug discovery. Drug-target protein binding occurs at specific regions ...