bit count for chemical (topological) fingerprint

 

For generatemd and screenmd, for chemical (topological) fingerprint generation, could someone define what

BitCount="3", BitCount="2", BitCount="1"
actually does/are?

In the ChemAxon screenmd documentation you state: 
"BitCount specifies the number of bits to be turned to 1 in the fingerprint for each feature identified"
My question is:  when BitCount=3, for example, exactly what are the bits that are turned to 1, besides the actual bit identified by the hash function identified by the pattern?  The bits before and after?  Something else?

thanks for any info

c oshiro

Hi,

My question is:  when BitCount=3, for example,
exactly what are the bits that are turned to 1, besides the actual bit
identified by the hash function identified by the pattern?  The bits
before and after?  Something else?

It is not so simple that one bit before and after. A different hashing algorithms used for setting more bits for a given pattern.