On May 16, 2015, at 12:01 AM, rikb wrote:
> let me tell you the question driving my interest, and you can perhaps keep
> me on the right path: i want to consider breaking ligands with respect to
> particular bonds into fragments, ala RECAP. then, i am exploring functions
> of ligands' FRAGMENT similarities relative to the similarities between the
> ligands directly. perhaps there has been prior work on this issue?
I'm glad you found my previous email to be helpful, but this question
is beyond my knowledge, sorry.
> i believe your answer implies that the bit strings provided by fp.bits are
> the 'correct' natural ordering of bits to explore this?
It doesn't make a difference, so long as everything is consistent.
Andrew
da...@dalkescientific.com
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