Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets.
Isidro Cortes-CirianoAndreas BenderThérèse E. MalliavinPublished in: J. Chem. Inf. Model. (2015)
Keyphrases
- machine learning algorithms
- benchmark data sets
- data sets
- machine learning
- learning algorithm
- decision trees
- learning problems
- predictive accuracy
- real world
- random forests
- machine learning approaches
- machine learning methods
- learning tasks
- machine learning models
- input features
- learning models
- text classification
- data structure
- training data
- neural network