Building Machine Learning Small Molecule Melting Points and Solubility Models Using CCDC Melting Points Dataset.
Xiang-Wei ZhuValery R. PolyakovKrishna BajjuriHuiyong HuAndreas MadernaClare A. ToveeSuzanna C. WardPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- machine learning
- data points
- point sets
- decision trees
- data mining
- information extraction
- active learning
- reinforcement learning
- computer vision
- data analysis
- artificial neural networks
- feature selection
- knowledge representation
- small number
- computational intelligence
- feature points
- machine learning algorithms
- pose estimation
- keypoints
- data sets
- machine learning approaches