ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery.
Andac DemirBaris CoskunuzerYulia R. GelIgnacio Segovia-DominguezYuzhou ChenBulent KiziltanPublished in: NeurIPS (2022)
Keyphrases
- computer aided
- drug discovery
- pharmaceutical industry
- chemical compounds
- computer aided diagnosis
- virtual screening
- image analysis
- early stage
- computer aided design
- diagnosis of breast cancer
- data mining
- data mining tools
- image processing
- biological systems
- discovery process
- scientific data
- connected components
- differential diagnosis
- machine learning
- real world
- systems biology
- process planning