Publication entry:
Sachem: a chemical cartridge for high-performance substructure search
- Full citation
- Kratochvíl, M., Vondrášek, J., & Galgonek, J. (2018). Sachem: A chemical cartridge for high-performance substructure search. Journal of Cheminformatics, 10(1), 1–11.
- BibTeX citation file download
- kratochvil2018sachem.bib
Internal authors
Research topics
Research Software Engineering
Optimization of scientific code to allow scientific breakthroughs.
Bioinformatics
Bioinformatics sits on the interface of computer science and molecular biology where it helps to manage, understand and analyze biological and biomedical data. Our research in bioinformatics focuses on the development of software tools applicable mainly in the domain of structural bioinformatics and visualization. These include tools for protein binding site detection, with the application in computational drug discovery, or tools for visualization of the structure of macromolecules. All our methods are implemented as software solutions used by thousands of users all over the world. Most of our tools were first implemented as bachelor or master thesis in our department.