Molecular Structure-Property Co-Trained Foundation Model for In Silico Chemistry.
Jinho ChangJong Chul YePublished in: CoRR (2022)
Keyphrases
- formal model
- information retrieval
- network model
- prediction model
- mathematical model
- graphical models
- high level
- training set
- expert systems
- theoretical framework
- objective function
- hierarchical structure
- neural network model
- theoretical foundation
- simulation model
- information systems
- data mining
- molecular structure