A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database.
Antanas VaitkusAndrius MerkysThomas SanderMiguel QuirósPaul A. ThiessenEvan E. BoltonSaulius GrazulisPublished in: J. Cheminformatics (2023)
Keyphrases
- database
- data sets
- high quality
- data structure
- data analysis
- synthetic data
- database systems
- training data
- database queries
- data sources
- raw data
- data collection
- data processing
- stored data
- data distribution
- statistical analysis
- input data
- knowledge discovery
- data points
- databases
- data integration
- sensor data
- experimental data
- relational databases
- data flow
- data integrity
- multiple databases