GNNSeq: A Sequence-Based Graph Neural Network for Predicting Protein–Ligand Binding Affinity

<b>Background/Objectives:</b> Accurately predicting protein–ligand binding affinity is essential in drug discovery for identifying effective compounds. While existing sequence-based machine learning models for binding affinity prediction have shown potential, they lack accuracy and robustness in pat...

Full beskrivning

Bibliografiska uppgifter

Huvudupphov:	Somanath Dandibhotla, Madhav Samudrala, Arjun Kaneriya, Sivanesan Dakshanamurthy
Materialtyp:	Artigo
Språk:	Inglês
Utgiven:	MDPI AG 2025-02-01
Serie:	Pharmaceuticals
Ämnen:	protein–ligand binding affinity machine learning graph neural network sequence-based protein–ligand affinity prediction
Länkar:	https://www.mdpi.com/1424-8247/18/3/329
Taggar:	Lägg till en tagg Inga taggar, Lägg till första taggen!