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EC-BLAST specifications
Information
| Unique identifier | OMICS_20284 |
|---|---|
| Name | EC-BLAST |
| Interface | Web user interface |
| Restrictions to use | None |
| Input data | EC Number or reaction name or a molecule name or a molecule file. |
| Input format | MDL V2 |
| Output data | The mapping with best chemical outcome. |
| Computer skills | Basic |
| Stability | Stable |
| Maintained | Yes |
Maintainer
- person_outline Janet Thornton
Additional information
Publication for EC-BLAST
EC-BLAST citations
(9)A review of computational tools for design and reconstruction of metabolic pathways
[…] al biologically incorrect predictions (i.e., subsequent reaction steps may use different stereoisomers). However, stereochemical changes have already been captured by many computational tools such as EC-Blast and Reaction Decoder Tool , which use the Chemistry Development Kit (CDK) , and CLCA to model stereochemical changes by appending stereochemical descriptors to the canonical labeling of eac […]
Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D
[…] ses and genome-scale metabolic network reconstructions. To our knowledge, only the BioPath [] and KEGG RPAIR [] databases disseminate manually curated atom mappings. Other metabolic databases such as EC-BLAST [] MetaCyc [] and MetRxn [] include predicted atom mappings.A genome-scale metabolic reconstruction is a structured knowledge-base that abstracts pertinent information on the biochemical tran […]
An update on the Enzyme Portal: an integrative approach for exploring enzyme knowledge
[…] Enzyme Portal to serve different purposes for different scientific communities interested in enzymes and to help answer their questions accurately. Future work includes adding analysis tools such as EC Blast (http://www.ebi.ac.uk/thornton-srv/software/rbl/) (). We welcome feedback from the community to help grow the Enzyme Portal with new functionality and further resources. […]
Metabolic pathway reconstruction strategies for central metabolism and natural product biosynthesis
[…] based not on amino acid sequence similarity but on chemical structure similarity. Several other methods to predict EC numbers from chemical structures have been subsequently developed [–], including EC-BLAST [], which allows one to search for enzymatic reactions with EC numbers that are similar to the query reaction based on bond-change, reaction-center, or reaction-structure similarity. […]
Reaction Decoder Tool (RDT): extracting features from chemical reactions
[…] Tools like EC-Blast (), FunTree (), MACiE () etc. use RDT in the background to mine and extract chemical information from thousands of enzyme reactions. The success rate of mapping is >99% when compared with man […]
Characterising Complex Enzyme Reaction Data
[…] mical attributes from biochemical reactions such as bond changes is necessary to compare enzymes based on the chemistry of their catalysed reactions. In order to calculate chemical attributes we used EC-BLAST, a recently-developed algorithm to obtain accurate atom-atom mapping, extract bond changes and perform similarity searches between enzyme reactions [].To study reaction diversity across the E […]
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