Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models.
Jonathan G. M. ConnJames W. CarterJustin J. A. ConnVigneshwari SubramanianAndrew BaxterOla EngkvistAntonio LlinàsEkaterina RatkovaStephen D. PickettJames L. McDonaghDavid S. PalmerPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- learning models
- training data
- data sets
- feature set
- learning algorithm
- classification models
- classification accuracy
- decision trees
- learning tasks
- prior knowledge
- feature selection algorithms
- loss function
- semi supervised learning
- feature extraction
- machine learning
- natural language processing
- feature vectors
- labeled data
- pairwise
- feature space
- similarity measure
- multimedia