Three-Dimensional Activity Landscape Models of Different Design and Their Application to Compound Mapping and Potency Prediction.
Tomoyuki MiyaoKimito FunatsuJürgen BajorathPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- data sets
- three dimensional
- engineering design
- activity theory
- computational models
- model selection
- parameter estimation
- design process
- statistical model
- modular design
- metamodel
- software architecture
- statistical models
- modeling method
- knowledge based systems
- multi view
- probabilistic model
- learning algorithm
- complex systems
- predictive model
- design decisions
- historical data
- regression model
- image sequences
- machine learning