Using Machine Learning Algorithms to Predict the Effects of Substituents on Molecular Properties and Structures.
Shane LeonardPublished in: AI (2022)
Keyphrases
- machine learning algorithms
- benchmark data sets
- machine learning
- learning algorithm
- machine learning methods
- decision trees
- predictive accuracy
- learning problems
- molecular structure
- learning tasks
- input features
- machine learning models
- random forests
- machine learning approaches
- transfer learning
- standard machine learning algorithms
- multi class
- support vector machine
- machine learning systems
- general purpose
- active learning
- machine learning and data mining algorithms