Re: [Scaffoldhunter-devel] introduction

[Prateek G. <pra...@gm...>]

I tried to explore through the web trying to understand the substructure
search method implemented in the
scaffold hunter project.I was only able to get read through the abstract of
the IEEE link as provided in the ideas link.
>From the sources,I was able to understand
1)The idea is basically an alternative way to approximate NP complete
problem of exact structure match in the
area of chemical compound structure for its presence within a particular
drug.
2)The approach is to filter part of the structure(substructure) of the
compound and to analyze for maximum
isomorphism to the query cited.
3)The alternative way implements a hash-key implementation.

My Doubts:
But i am not able to understand the "fingerprint technique with a
combination of tree and cycle features" used
in the filtering?Is it that subgraph is broken into tree and used as key
and the corresponding cyclic link is matched
as the value?
Some more doubts still.

I am also starting to acquaint with the structure editor Jchempaint.But
need more links for better understanding of the
concept and can you provide me with the link to the source code of the
present module or is this idea proposes the
development of a new module?


On Thu, Apr 11, 2013 at 10:22 PM, Prateek Gupta <pra...@gm...
> wrote:

> hello,
> I am Prateek Gupta,IInd year student pursuing Bachelors in engineering
> with majors in computer science from BITS Pilani Goa,India.
> I am interested to participate in gsoc 2013 and interested in Scaffold
> Hunter organization.
> My skill set includes C,Java,python,mysql and android application
> development.
> I am interested in the idea substructure search in the ideas list.
>
> Thank you.
>