Abstract
This chapter contains sections titled: Introduction Fragmentation Methods Learning from Existing Databases Conclusion References.
Author supplied keywords
- Computational Approaches
- Fragmentation graph theory role
- Highest scoring common substructure (HSCS)
- Market Basket Analysis
- Molecular building blocks
- Molecular framework ring systems and linkers
- Optiverse (OV) combinatorial screening library and Maybridge collection (MB)
- Structure–activity/property relationships (SARs/SPRs)
- Warmr - Inductive Logic Programming (ILP) data-mining tool
Cite
CITATION STYLE
APA
van der Horst, E., & Ijzerman, A. P. (2008). Computational Approaches to Fragment and Substructure Discovery and Evaluation. In Fragment-Based Drug Discovery: A Practical Approach (pp. 199–222). wiley. https://doi.org/10.1002/9780470721551.ch8
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