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

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 robus...

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Bibliographic Details
Main Authors: Somanath Dandibhotla, Madhav Samudrala, Arjun Kaneriya, Sivanesan Dakshanamurthy
Format: Article
Language:English
Published: MDPI AG 2025-02-01
Series:Pharmaceuticals
Subjects:
protein–ligand binding affinity
machine learning
graph neural network
sequence-based protein–ligand affinity prediction
Online Access:https://www.mdpi.com/1424-8247/18/3/329
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