Range for a fingerprint value ?

Hi,





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


Alistair

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.





Regards,


Miklos