Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach.
Juan S. GrassanoIgnacio PickeringAdrian E. RoitbergMariano C. González LebreroDario A. EstrinJonathan Alexis SemelakPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- machine learning
- maximum likelihood
- pattern recognition
- text classification
- data mining
- data analysis
- vector space
- learning systems
- terms of computational efficiency
- rms error
- knowledge discovery
- kernel methods
- machine learning methods
- computer vision
- machine learning algorithms
- computational intelligence
- higher order
- text mining
- artificial intelligence
- semi supervised learning
- statistical methods
- information extraction
- inductive logic programming
- machine learning approaches
- average error
- reinforcement learning
- root mean square