Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach.
Kuo-Hao LeeAndrew D. FantJiqing GuoAndy GuanJoslyn JungMary KudaibergenovaWilliams E. MirandaTherese KuJianjing CaoSoren WackerHenry J. DuffAmy Hauck NewmanSergei Yu NoskovLei ShiPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- machine learning
- pairwise
- computer vision
- data mining
- machine learning methods
- learning systems
- pattern recognition
- explanation based learning
- machine learning algorithms
- feature selection
- dna computing
- inductive learning
- knowledge acquisition
- computational intelligence
- natural language processing
- learning algorithm
- data analysis
- information retrieval
- fine grained
- real time
- artificial intelligence
- three dimensional
- information systems
- data driven approaches