Evaluating molecular representations in machine learning models for drug response prediction and interpretability.
Delora BaptistaJoão CorreiaBruno PereiraMiguel RochaPublished in: J. Integr. Bioinform. (2022)
Keyphrases
- machine learning models
- prediction accuracy
- drug design
- predictive model
- drug discovery
- spam filtering
- machine learning algorithms
- machine learning approaches
- prediction model
- learning models
- machine learning
- historical data
- protein structure prediction
- ligand docking
- protein protein interactions
- machine learning methods
- higher order
- data sets
- virtual screening