Strategies for the optimization of the structure of crystalline compounds.
Fabien PascalePhilippe D'ArcoFrancesco Silvio GentileRoberto DovesiPublished in: J. Comput. Chem. (2022)
Keyphrases
- optimization strategies
- optimization process
- drug discovery
- database
- data sets
- discrete optimization
- machine learning
- optimization methods
- structural information
- microarray
- geometric structure
- search strategies
- global optimization
- experimental data
- optimization problems
- probabilistic model
- database systems
- information retrieval
- real world
- neural network
- databases
- real time