CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space.
Christina HumerRachel NichollsHenry HeberleMoritz HeckmannMichael PühringerThomas WolfMaximilian LübbesmeyerJulian HeinrichJulius HillenbrandGiulio VolpinMarc StreitPublished in: J. Cheminformatics (2024)
Keyphrases
- parameter space
- chemical reaction
- artificial intelligence
- image space
- iterative optimization
- parameter values
- high dimensional
- multivariate data
- starting points
- search space
- linear transformations
- optimization methods
- chemical reactions
- machine learning
- global optimization
- optimization algorithm
- knowledge based systems
- optimization problems
- ai systems
- hough space
- expert systems
- search algorithm
- computational intelligence
- case based reasoning
- knowledge representation