The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods.
Thereza A. SoaresAriane Nunes-AlvesAngelica MazzolariFiorella RuggiuGuo-Wei WeiKenneth M. Merz Jr.Published in: J. Chem. Inf. Model. (2022)
Keyphrases
- machine learning methods
- quantitative structure activity
- drug design
- drug discovery
- machine learning
- machine learning approaches
- machine learning algorithms
- ensemble methods
- protein structure prediction
- statistical methods
- protein protein interactions
- early stage
- data mining
- decision trees
- computational model
- discovery process
- preprocessing