Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms.
Zhuyifan YeDefang OuyangPublished in: J. Cheminformatics (2021)
Keyphrases
- machine learning algorithms
- benchmark data sets
- learning algorithm
- machine learning
- decision trees
- machine learning methods
- standard machine learning algorithms
- learning problems
- prediction accuracy
- predictive accuracy
- learning tasks
- machine learning models
- machine learning approaches
- random forests
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- neural network
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- phase transition
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- support vector machine
- text categorization