Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks.
Seid HamzicRichard A. LewisSandrine DesrayaudCihan SoyluMike FortunatoGrégori GerebtzoffRaquel Rodríguez-PérezPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- multi task
- neural network
- multi task learning
- learning tasks
- multitask learning
- multi class
- learning problems
- feature selection
- multiple tasks
- gaussian processes
- transfer learning
- graph structure
- sparse learning
- text classification
- training data
- image processing
- learning algorithm
- natural language processing
- undirected graph
- machine learning