Results 251 to 260 of about 159,394 (268)

A survey of drug-target interaction and affinity prediction methods via graph neural networks

Computers in Biology and Medicine, 2023
exaly  

LE-DTA: Local Extrema Convolution for Drug Target Affinity Prediction

ICASSP 2023 - 2023 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 2023
Tanoj Langore, Te-Cheng Hsu, Yi-Hsien Hsieh, Che Lin   +3 more
openaire   +1 more source

The role of ligand efficiency metrics in drug discovery

Nature Reviews Drug Discovery, 2014
Andrew L Hopkins, Gyorgy M Keseru, Paul D Leeson   +2 more
exaly  

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

Information Sciences, 2022
exaly  

A comprehensive map of molecular drug targets

Nature Reviews Drug Discovery, 2016
Rita Santos, Oleg Ursu, Anna Gaulton
exaly  

Drug–target residence time and its implications for lead optimization

Nature Reviews Drug Discovery, 2006
Robert A Copeland, Thomas D Meek
exaly  

Applications of chemogenomic library screening in drug discovery

Nature Reviews Drug Discovery, 2017
Lyn H Jones
exaly  

Applying thermodynamic profiling in lead finding and optimization

Nature Reviews Drug Discovery, 2015
Gerhard Klebe
exaly  

Induced protein degradation: an emerging drug discovery paradigm

Nature Reviews Drug Discovery, 2016
Craig M Crews
exaly  

FragmentDTA: Structural Clustering Network for Drug-Target Affinity Prediction

2025 7th International Conference on Data-driven Optimization of Complex Systems (DOCS)
Jianwei Zhou, Bin Ju, Minchao Ye
openaire   +1 more source