Prediction of organic compound aqueous solubility using machine learning: a comparison study of descriptor-based and fingerprints-based models.
Arash TayyebiAli S. AlshamiZeinab RabieiXue YuNadhem IsmailMusabbir Jahan TalukderJason PowerPublished in: J. Cheminformatics (2023)
Keyphrases
- machine learning
- machine learning algorithms
- machine learning methods
- statistical models
- prediction accuracy
- model selection
- predictive model
- prediction model
- models built
- classification models
- complex systems
- text mining
- knowledge representation
- data analysis
- decision trees
- feature selection
- text classification
- information extraction
- probabilistic model
- color images
- prior knowledge
- learning tasks
- reinforcement learning
- learning models
- machine learning approaches
- computer vision