Geometric Graph Learning with Extended Atom-Types Features for Protein-Ligand Binding Affinity Prediction.

Md. Masud Rana Duc Duy Nguyen

Published in: CoRR (2023)

Keyphrases

prior knowledge
feature space
active learning
drug design
learning process
supervised learning
random walk
feature extraction
reinforcement learning
feature set
prediction accuracy
multiple types
protein interaction
topological information