Publications by authors named "Ghaith Mqawass"
graphLambda: Fusion Graph Neural Networks for Binding Affinity Prediction.
J Chem Inf Model
April 2024
Article Synopsis
- Predicting how well proteins and ligands bind is key for drug discovery and finding new drug candidates.
- Recent advancements in deep learning, particularly using graph neural networks, led to the creation of graphLambda, a new model for predicting binding affinity.
- This model performs better than previous methods and shows reliability across various testing scenarios, highlighting the importance of graph neural networks in improving drug discovery processes.