Deep drug-target binding affinity prediction with multiple attention blocks

GANsDTA: Predicting Drug-Target Binding Affinity Using GANs

(2020) Lingling Zhao et al.   Frontiers in Genetics

Dipeptide Frequency of Word Frequency and Graph Convolutional Networks for DTA Prediction

(2020) Xianfang Wang et al.   Frontiers in Bioengineering and Biotechnology

Combining phenome-driven drug-target interaction prediction with patients’ electronic health records-based clinical corroboration toward drug discovery

(2020) Mengshi Zhou et al.   BIOINFORMATICS

DTiGEMS+: drug–target interaction prediction using graph embedding, graph mining, and similarity-based techniques

(2020) Maha A. Thafar et al.   Journal of Cheminformatics

OnionNet: a Multiple-Layer Intermolecular-Contact-Based Convolutional Neural Network for Protein–Ligand Binding Affinity Prediction

(2019) Liangzhen Zheng et al.   ACS Omega

NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions

(2018) Fangping Wan et al.   BIOINFORMATICS

OUP accepted manuscript

(2018)   BIOINFORMATICS

Deep-Learning-Based Drug–Target Interaction Prediction

(2017) Ming Wen et al.   JOURNAL OF PROTEOME RESEARCH

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

(2017) Tong He et al.   Journal of Cheminformatics

A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction

(2016) Hakime Öztürk et al.   BMC BIOINFORMATICS

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

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

Low-Quality Structural and Interaction Data Improves Binding Affinity Prediction via Random Forest

(2015) Hongjian Li et al.   MOLECULES

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

Predicting drug-target interactions using restricted Boltzmann machines

(2013) Yuhao Wang et al.   BIOINFORMATICS

Some case studies on application of “rm2” metrics for judging quality of quantitative structure-activity relationship predictions: Emphasis on scaling of response data

(2013) Kunal Roy et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Identify drug repurposing candidates by mining the Protein Data Bank

(2011) F. Moriaud et al.   BRIEFINGS IN BIOINFORMATICS

Exploiting drug-disease relationships for computational drug repositioning

(2011) J. T. Dudley et al.   BRIEFINGS IN BIOINFORMATICS

Comprehensive analysis of kinase inhibitor selectivity

(2011) Mindy I Davis et al.   NATURE BIOTECHNOLOGY

On Two Novel Parameters for Validation of Predictive QSAR Models

(2009) Partha Pratim Roy et al.   MOLECULES