Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors.
Alexey LaguninAthina GeronikakiPhaedra EleftheriouPavel V. PogodinAlexey V. ZakharovPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- quantitative structure activity
- drug design
- heterogeneous data
- drug discovery
- protein protein interactions
- data management
- data integration
- databases
- protein structure prediction
- scientific data
- data sources
- database systems
- complex data
- network topology
- systems biology
- data sets
- knowledge discovery
- high throughput
- early stage
- biological data
- data model
- decision making
- feature selection
- real world