ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery.
Andac DemirBaris CoskunuzerIgnacio Segovia-DominguezYuzhou ChenYulia R. GelBulent KiziltanPublished in: CoRR (2022)
Keyphrases
- computer aided
- drug discovery
- chemical compounds
- computer aided diagnosis
- early stage
- pharmaceutical industry
- image analysis
- systems biology
- diagnosis of breast cancer
- virtual screening
- connected components
- data mining
- computer aided design
- scientific data
- biological systems
- databases
- process planning
- knowledge discovery
- support vector
- discovery process
- pulmonary nodules
- high throughput
- software engineering
- data integration