Machine Learning-Based Prediction of Activation Energies for Chemical Reactions on Metal Surfaces.
Daniel J. HuttonKari E. CordesCarine MichelFlorian GöltlPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- machine learning
- chemical reactions
- prediction accuracy
- chemical reaction
- learning systems
- pattern recognition
- prediction error
- prediction algorithm
- machine learning algorithms
- feature selection
- energy function
- higher order
- data mining
- computer vision
- graph cuts
- prediction model
- text classification
- markov random field
- computational intelligence
- information extraction
- artificial intelligence
- learning algorithm
- predictive modeling
- surface reconstruction
- machine learning and statistical
- learning tasks
- machine learning methods
- multi view
- data analysis
- point cloud
- inductive logic programming
- inductive learning
- statistical methods
- surface model
- regression model
- protein secondary structure prediction
- knowledge discovery
- reinforcement learning