pharmacophore fingerprint string format

ChemAxon efa1591b5a

04-06-2004 11:53:41

[quoted from a user's support request]

I use the Chemaxon Libraries and I have just one question regarding the MolecularDescriptor classes. The ChemicalFingerprint class has a function toBitString() to convert the fingerprint to a bit string. I have looked through the documentation to see if there is a similar function for the PharmacophoreFingerprint but have been unable to find one. Is there a corresponding method to convert a PharmacophoreFingerprint to a bit string, and if not, will one be available in a later version.

ChemAxon efa1591b5a

04-06-2004 11:54:49

PharmacophoreFingerprints in their generic form are constituted from floating point numbers. I am not convinced that the bit-string representation of such series of values would be useful for anything. Though if so, and you need such functionality, we are happy to provide you the required methods in the next release of JChem.

The method for PharmacophoreFingerprints which corresponds to the toBitString() function is called toDecimalString(). This gives an output similar to the output of toBitString(), however, instead of a series of zeros and ones here you get a series of decimal values. Would this method meet your needs or not?