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Printable Handouts
Navigable Slide Index
- Introduction
- Aromatic compounds
- Aromaticity (1)
- Aromaticity (2)
- The Hueckel rule
- Aromaticity in various contexts
- Numerous subtasks exist in chemical informatics
- The Chemistry Development Kit (1)
- The Chemistry Development Kit (2)
- Detecting aromaticity - easy cases
- Detecting aromaticity - more difficult cases
- Ring sets
- The Set of All Rings (SAR)
- The Hanser-Jauffret-Kaufmann algorithm (1)
- The Hanser-Jauffret-Kaufmann algorithm (2)
- The Hanser-Jauffret-Kaufmann algorithm (3)
- The Hanser-Jauffret-Kaufmann algorithm (4)
- SAR detection in the CDK (1)
- SAR detection in the CDK (2)
- SAR detection in the CDK (3)
- SAR detection in the CDK (4)
- SAR detection in the CDK (5)
- SAR detection in the CDK (6)
- Finding the smallest set of smallest rings (1)
- Finding the smallest set of smallest rings (2)
- Ring detection and aromaticity
- Acknowledgements
Topics Covered
- Aromatic compounds
- The Hueckel rule
- Subtasks in chemical informatics
- The Chemistry Development Kit (CDK)
- The Set of All Rings (SAR)
- The Hanser-Jauffret-Kaufmann algorithm
- SAR detection in the CDK
- Finding the smallest set of smallest rings (SSSR)
Talk Citation
Steinbeck, C. (2022, January 23). Ring searching and aromaticity detection [Video file]. In The Biomedical & Life Sciences Collection, Henry Stewart Talks. Retrieved November 4, 2024, from https://doi.org/10.69645/SBBF4829.Export Citation (RIS)
Publication History
Financial Disclosures
- Prof. Dr. Christoph Steinbeck has not informed HSTalks of any commercial/financial relationship that it is appropriate to disclose.