Open-Source Machine Learning in Computational Chemistry.
Alexander HaggKarl N. KirschnerPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- computational chemistry
- open source
- machine learning
- source code
- open source software
- learning algorithm
- case study
- pattern recognition
- natural language processing
- information extraction
- explanation based learning
- machine learning methods
- transfer learning
- decision trees
- data sets
- map reduce
- open source projects
- machine learning and data mining
- data mining
- artificial intelligence
- inductive logic programming
- learning tasks
- information systems
- machine learning algorithms
- knowledge acquisition
- multiscale
- reinforcement learning
- text mining
- data analysis
- database
- support vector machine
- knowledge representation