Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning.
Susanne SauerHans MatterGerhard HesslerChristoph GrebnerPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- databases
- reinforcement learning
- design methodology
- database
- engineering design
- design principles
- markov decision processes
- data integration
- knowledge based systems
- data management
- case study
- dynamic programming
- state space
- control system
- expert systems
- virtual environment
- design process
- virtual reality
- augmented reality
- metadata
- information systems
- function approximation
- learning algorithm
- machine learning