Bioactivity assessment of natural compounds using machine learning models trained on target similarity between drugs.
Vinita PeriwalStefan BasslerSergej AndrejevNatalia GabrielliKaustubh Raosaheb PatilAthanasios TypasKiran Raosaheb PatilPublished in: PLoS Comput. Biol. (2022)
Keyphrases
- drug discovery
- machine learning models
- spam filtering
- machine learning algorithms
- machine learning approaches
- similarity measure
- early stage
- machine learning
- distance measure
- scientific data
- systems biology
- data sets
- biological systems
- decision trees
- real world
- data mining tools
- predictive model
- data mining
- learning models
- natural language processing
- training set
- distance function
- classification accuracy
- bayesian networks
- neural network