Range for a fingerprint value ?

User 0224fcf261

12-05-2005 14:40:43


I've created a CFParameters object and run the generate method on a Molecule, and i can return the fingerprint string using toString.

I would like to know what range each of the values in the fingerprint has ? Am i right in thinking that each number in the fingerprint string is a different descriptor ?

Many thanks


ChemAxon efa1591b5a

12-05-2005 21:06:47

Hi Alistair,

indeed, you can consider each value as a descriptor. However, the fingerprint behind these values is a binary fingerprint. Thus, strictly speaking, each bit of such fingerprint is a descriptor.

To get a statistic of their distribution call generetemd with the -T (or --stat) command line flag. Alternatively, when using the API call setCreateStat(true) of GenerateMD to initialize statistics and getStatistics() to retrieve the stat info in a formatted string.

Hope this helps.