Retrosynthesis prediction enhanced by in-silico reaction data augmentation.
Xu ZhangYiming MoWenguan WangYi YangPublished in: CoRR (2024)
Keyphrases
- data sets
- data analysis
- raw data
- data collection
- high quality
- small number
- knowledge discovery
- data points
- original data
- prediction accuracy
- spatial data
- training data
- feature selection
- missing values
- data quality
- data acquisition
- prediction error
- data distribution
- predictive model
- correlation analysis
- input data
- sensor data
- high dimensional data
- data processing
- image data
- end users
- data sources
- xml documents
- relational databases
- information systems
- social networks
- neural network