Drug–target affinity prediction using graph neural network and contact maps
Sign Up to like & getrecommendations! Published in 2020 at "RSC Advances"
DOI: 10.1039/d0ra02297g
Abstract: Computer-aided drug design uses high-performance computers to simulate the tasks in drug design, which is a promising research area. Drug–target affinity (DTA) prediction is the most important step of computer-aided drug design, which could speed… read more here.
Keywords: drug; drug target; graph neural; target affinity ... See more keywords
Improving drug-target affinity prediction via feature fusion and knowledge distillation.
Sign Up to like & getrecommendations! Published in 2023 at "Briefings in bioinformatics"
DOI: 10.1093/bib/bbad145
Abstract: Rapid and accurate prediction of drug-target affinity can accelerate and improve the drug discovery process. Recent studies show that deep learning models may have the potential to provide fast and accurate drug-target affinity prediction. However,… read more here.
Keywords: drug target; prediction; drug; affinity prediction ... See more keywords