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

BACPI: a bi-directional attention neural network for compound–protein interaction and binding affinity prediction

(2022) Min Li et al.   BIOINFORMATICS

MGraphDTA: deep multiscale graph neural network for explainable drug–target binding affinity prediction

(2022) Ziduo Yang et al.   Chemical Science

Meta-Analysis of the Effect of Aspirin on Mortality in COVID-19

(2021) Husam M. Salah et al.   AMERICAN JOURNAL OF CARDIOLOGY

Effect of Ivermectin on Time to Resolution of Symptoms Among Adults With Mild COVID-19

(2021) Eduardo López-Medina et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

DeepDTAF: a deep learning method to predict protein–ligand binding affinity

(2021) Kaili Wang et al.   BRIEFINGS IN BIOINFORMATICS

FusionDTA: attention-based feature polymerizer and knowledge distillation for drug-target binding affinity prediction

(2021) Weining Yuan et al.   BRIEFINGS IN BIOINFORMATICS

GEFA: Early Fusion Approach in Drug-Target Affinity Prediction

(2021) Tri Minh Nguyen et al.   IEEE-ACM Transactions on Computational Biology and Bioinformatics

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

(2020) Shuya Li et al.   Cell Systems

MDeePred: Novel Multi-Channel protein featurization for deep learning based binding affinity prediction in drug discovery

(2020) A S Rifaioglu et al.   BIOINFORMATICS

Explainable Deep Relational Networks for Predicting Compound–Protein Affinities and Contacts

(2020) Mostafa Karimi et al.   Journal of Chemical Information and Modeling

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

(2019) Mostafa Karimi et al.   BIOINFORMATICS

Protein contact prediction using metagenome sequence data and residual neural networks

(2019) Qi Wu et al.   BIOINFORMATICS

Comparison Study of Computational Prediction Tools for Drug-Target Binding Affinities

(2019) Maha Thafar et al.   Frontiers in Chemistry

A Fast Linear Neighborhood Similarity-Based Network Link Inference Method to Predict MicroRNA-Disease Associations

(2019) Wen Zhang et al.   IEEE-ACM Transactions on Computational Biology and Bioinformatics

Development and evaluation of a deep learning model for protein–ligand binding affinity prediction

(2018) Marta M Stepniewska-Dziubinska et al.   BIOINFORMATICS

OUP accepted manuscript

(2018)   BIOINFORMATICS

KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks

(2018) José Jiménez et al.   Journal of Chemical Information and Modeling

PconsC4: fast, accurate and hassle-free contact predictions

(2018) Mirco Michel et al.   BIOINFORMATICS

Protein–Ligand Scoring with Convolutional Neural Networks

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

SimBoost: a read-across approach for predicting drug–target binding affinities using gradient boosting machines

(2017) Tong He et al.   Journal of Cheminformatics

Pred-binding: large-scale protein–ligand binding affinity prediction

(2016) Piar Ali Shar et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Toward more realistic drug-target interaction predictions

(2014) T. Pahikkala et al.   BRIEFINGS IN BIOINFORMATICS

Making Sense of Large-Scale Kinase Inhibitor Bioactivity Data Sets: A Comparative and Integrative Analysis

(2014) Jing Tang et al.   Journal of Chemical Information and Modeling

An extensive comparative study of cluster validity indices

(2012) Olatz Arbelaitz et al.   PATTERN RECOGNITION

Comprehensive analysis of kinase inhibitor selectivity

(2011) Mindy I Davis et al.   NATURE BIOTECHNOLOGY