SAMPL6 logP challenge: machine learning and quantum mechanical approaches.
Prajay PatelDavid M. KuntzMichael R. JonesBernard R. BrooksAngela K. WilsonPublished in: J. Comput. Aided Mol. Des. (2020)
Keyphrases
- machine learning
- machine learning methods
- machine learning algorithms
- machine learning approaches
- learning tasks
- pattern recognition
- database
- model selection
- quantum computing
- machine learning models
- natural language
- feature selection
- information extraction
- active learning
- kernel methods
- reinforcement learning
- image sequences
- quantum mechanics
- mechanical design
- data mining