Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning.
Dongdong ZhangSong XiaYingkai ZhangPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- transfer learning
- neural network
- learning tasks
- prediction model
- knowledge transfer
- labeled data
- reinforcement learning
- cross domain
- semi supervised learning
- active learning
- transfer knowledge
- machine learning
- collaborative filtering
- multi task learning
- structure learning
- target domain
- machine learning algorithms
- text classification
- multi task
- domain adaptation
- text categorization
- learning algorithm
- databases
- unlabeled data
- directed acyclic graph
- unsupervised learning
- graph cuts
- text mining
- fuzzy neural network
- semi supervised
- bayesian networks
- similarity measure
- manifold alignment
- algorithmic information theory