Structure-based, deep-learning models for protein-ligand binding affinity prediction.
Debby D. WangWenhui WuRan WangPublished in: J. Cheminformatics (2024)
Keyphrases
- learning models
- drug design
- contact map
- learning algorithm
- machine learning
- semi supervised learning
- protein structure prediction
- protein structure
- drug discovery
- high throughput
- classification models
- protein protein interactions
- loss function
- learning problems
- protein sequences
- image classification
- support vector machine
- conditional random fields
- protein interaction
- pairwise
- unsupervised learning