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Printable Handouts
Navigable Slide Index
- Introduction
- Why we need structure elucidation
- Structure elucidation - the beginning
- The conventional solution - today
- Why use a computer for structure elucidation?
- Cyber-based structure elucidation
- Capabilities in cyber-based structure elucidation
- The SESAMI system
- SESAMI's program attributes
- SESAMI - interpret
- PRUNE
- INFER
- INFER2D
- Functions of INFER2D
- INFERCNMR (1)
- INFERCNMR - program input and output
- The entire SESAMI system
- Output of INTERPRET
- Structure generation - structure assembly
- Structure generation -structure reduction
- Convergent structure generation - HOUDINI
- Velloquercetin
- Velloquercetin - INFER2D output
- Velloquercetin - INFERCNMR output
- Role of INFERCNMR
- Velloquercetin -SESAMI output
- Stereochemistry
- References
- Acknowledgements
Topics Covered
- Importance in drug discovery
- Structure elucidation as old as chemistry itself
- Role of the Computer; Augment productivity and reliability
- Computer Capabilities: Spectrum interpretation, structure generation, spectrum prediction and spectrum comparison
- Program SESAMI: A compressive structure elucidation system
- SESAMI: Problem solving
- Stereochemistry
Talk Citation
Munk, M.E. (2011, May 31). Cyber-based structure elucidation [Video file]. In The Biomedical & Life Sciences Collection, Henry Stewart Talks. Retrieved December 14, 2024, from https://doi.org/10.69645/KEZN2399.Export Citation (RIS)
Publication History
Financial Disclosures
- Prof. Morton E. Munk has not informed HSTalks of any commercial/financial relationship that it is appropriate to disclose.