Progress towards Automated Kepler Scientific Workflows for Computer-aided Drug Discovery and Molecular Simulations.
Pek U. IeongJesper SørensenPrasantha L. VemuCelia W. WongÖzlem DemirNadya P. WilliamsJianwu WangDaniel CrawlRobert V. SwiftRobert D. MalmstromIlkay AltintasRommie E. AmaroPublished in: ICCS (2014)
Keyphrases
- computer aided
- scientific workflows
- drug discovery
- scientific data
- virtual screening
- drug design
- data management
- pharmaceutical industry
- data collection
- early stage
- service oriented
- process planning
- workflow systems
- semantic annotation
- computer aided design
- image analysis
- web services
- file system
- systems biology
- machine learning
- semi automatic
- software engineering
- database systems