Prediction of drug–protein interaction based on dual channel neural networks with attention mechanism

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

(2022) Zhaoyang Chu et al.   INFORMATION SCIENCES

Bayesian neural network with pretrained protein embedding enhances prediction accuracy of drug-protein interaction

(2021) QHwan Kim et al.   BIOINFORMATICS

MultiDTI: drug–target interaction prediction based on multi-modal representation learning to bridge the gap between new chemical entities and known heterogeneous network

(2021) Deshan Zhou et al.   BIOINFORMATICS

MVGCN: data integration through multi-view graph convolutional network for predicting links in biomedical bipartite networks

(2021) Haitao Fu et al.   BIOINFORMATICS

DeepCDA: Deep Cross-Domain Compound-Protein Affinity Prediction through LSTM and Convolutional Neural Networks

(2020) Karim Abbasi et al.   BIOINFORMATICS

MONN: A Multi-objective Neural Network for Predicting Compound-Protein Interactions and Affinities

(2020) Shuya Li et al.   Cell Systems

DeepAffinity: interpretable deep learning of compound–protein affinity through unified recurrent and convolutional neural networks

(2019) Mostafa Karimi et al.   BIOINFORMATICS

DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences

(2019) Ingoo Lee et al.   PLoS Computational Biology

Graph Convolutional Neural Networks for Predicting Drug-Target Interactions

(2019) Wen Torng et al.   Journal of Chemical Information and Modeling

DTI-CDF: a cascade deep forest model towards the prediction of drug-target interactions based on hybrid features

(2019) Yanyi Chu et al.   BRIEFINGS IN BIOINFORMATICS

Compound-protein Interaction Prediction with End-to-end Learning of Neural Networks for Graphs and Sequences

(2018) Masashi Tsubaki et al.   BIOINFORMATICS

Review of Drug Repositioning Approaches and Resources

(2018) Hanqing Xue et al.   International Journal of Biological Sciences

Drug repurposing: progress, challenges and recommendations

(2018) Sudeep Pushpakom et al.   NATURE REVIEWS DRUG DISCOVERY

Protein–Ligand Scoring with Convolutional Neural Networks

(2017) Matthew Ragoza et al.   Journal of Chemical Information and Modeling

Improving compound–protein interaction prediction by building up highly credible negative samples

(2015) Hui Liu et al.   BIOINFORMATICS

QSAR Multi-Target in Drug Discovery: A Review

(2014) Riccardo Zanni et al.   Current Computer-Aided Drug Design

Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

(2012) Michael M. Mysinger et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structural Determinants of the Supramolecular Organization of G Protein-Coupled Receptors in Bilayers

(2012) Xavier Periole et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

NNScore 2.0: A Neural-Network Receptor–Ligand Scoring Function

(2011) Jacob D. Durrant et al.   Journal of Chemical Information and Modeling

A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking

(2010) Pedro J. Ballester et al.   BIOINFORMATICS

The Graph Neural Network Model

(2008) F. Scarselli et al.   IEEE TRANSACTIONS ON NEURAL NETWORKS