Development and evaluation of a deep learning model for protein-ligand binding affinity prediction.
Journal:
Bioinformatics (Oxford, England)
Published Date:
Nov 1, 2018
Abstract
MOTIVATION: Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has recently gained considerable attention as it allows the model to 'learn' to extract features that are relevant for the task at hand.