The Impact of Data on Structure-Based Binding Affinity Predictions Using Deep Neural Networks

Artificial intelligence (AI) has gained significant traction in the field of drug discovery, with deep learning (DL) algorithms playing a crucial role in predicting protein–ligand binding affinities. Despite advancements in neural network architectures, system representation, and training techniques...

Full description

Bibliographic Details
Main Authors: Pierre-Yves Libouban, Samia Aci-Sèche, Jose Carlos Gómez-Tamayo, Gary Tresadern, Pascal Bonnet
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:International Journal of Molecular Sciences
Subjects:
Online Access:https://www.mdpi.com/1422-0067/24/22/16120