ORDerly: Data Sets and Benchmarks for Chemical Reaction Data.
Daniel S. WighJoe ArrowsmithAlexander PombergerKobi C. FeltonAlexei A. LapkinPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- data sets
- database
- data structure
- data analysis
- original data
- synthetic data
- input data
- end users
- data processing
- image data
- chemical reaction
- historical data
- complex data
- data points
- probability distribution
- high quality
- training data
- databases
- knowledge discovery
- data sources
- data collection
- data quality
- prior knowledge
- statistical analysis
- test data
- raw data
- machine learning
- data mining
- data collections