Dimensionally reduced machine learning model for predicting single component octanol-water partition coefficients.
David H. KenneyRandy C. PaffenrothMichael T. TimkoAndrew R. TeixeiraPublished in: J. Cheminformatics (2023)
Keyphrases
- computational model
- machine learning
- prior knowledge
- measured data
- information extraction
- formal model
- statistical model
- linear combination
- text mining
- social networks
- artificial intelligence
- probabilistic model
- probability distribution
- cost function
- natural language processing
- pattern recognition
- input data
- objective function
- decision trees
- statistical methods
- neural network model
- learning algorithm