Molecular Generation and Optimization of Molecular Properties Using a Transformer Model.
Zhongyin XuXiujuan LeiMei MaYi PanPublished in: Big Data Min. Anal. (2024)
Keyphrases
- optimization model
- statistical model
- high level
- mathematical model
- data sets
- three dimensional
- probabilistic model
- formal model
- neural network model
- optimization problems
- sensitivity analysis
- computational model
- genetic algorithm
- theoretical analysis
- probability distribution
- multiscale
- theoretical framework
- parameter estimation
- experimental data
- management system
- power law
- generation process