What are these NCI/CADD Structure Identifiers “uuuuu”, “FICuS”, or “FICTS”?
A.: The uuuuu, FICuS, and FICTS identifiers are different variants of our NCI/CADD Structure Identifiers and are calculable, unique structure identifiers for small molecule. All of them are based on hashcode calculations built into the chemoinformatics toolkit CACTVS. The identifier represents a given chemical structure with different levels of specificity to the features of a chemcial structure such as tautomerism, counterions, isotopes, charges, stereochemistry, etc. A more detailed discussion about the NCI/CADD Structure Identifiers is available here. If you like to use the NCI/CADD Structure Identifiers to search the database it is probably a good strategy to perform a search by uuuuu first. The uuuuu being the least chemical feature-sensitive one of our identifiers, it will give you the broadest overview of what is in CSLS for this parent structure. After you have had a look at the results, you may then refine your search by using a specific FICuS (e.g. of a specific stereoisomer)
Related Questions
- Why not use a numerical identifier with known structure (to support matching) similar to that of ISBN and VIN identifiers?
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- What are these NCI/CADD Structure Identifiers "uuuuu", "FICuS", or "FICTS"?
