Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints.
David J. PontingRuud van DeursenMartin A. OttPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- machine learning
- structural information
- machine learning methods
- text mining
- pattern recognition
- text classification
- learning tasks
- artificial intelligence
- machine learning algorithms
- machine learning approaches
- information extraction
- learning problems
- computational intelligence
- computer science
- data analysis
- learning systems
- learning algorithm
- decision trees
- computer vision
- computational biology
- structural model
- inductive logic programming
- structural analysis
- genetic algorithm
- model selection
- database
- support vector machine
- knowledge discovery
- active learning
- feature selection