Hello Asad,
a) Subgraph doesn't mean Max Common Subgraph (MCS)
Glad to see someone concur. Though, Ullman may have seen the subgraph
isomorphism problem as finding the maximal common subgraph. One could argue
about this, but it's not really that crucial.
b) In CDK UIT (as well as with SMSD) yo
On Tuesday 09 March 2010 12:05:36 Leonid Chepelev wrote:
> Glad to see someone concur. Though, Ullman may have seen the
> subgraph isomorphism problem as finding the maximal common
> subgraph. One could argue about this, but it's not really that
> crucial.
Are you talking about "An Algorithm for S
On Tue, Mar 9, 2010 at 12:05 PM, Leonid Chepelev
wrote:
> Well, it would have helped more if it were more specific. I have started to
> get into CDK subgraph isomorphism code, but my work would definitely be
> accelerated if there were specific suggestions.
The SMSD patch has several implementati
Hi,
No problem. I should point out first that I am not a mathematician,
but I have done some small work on implementing maximal common
subgraph and subgraph isomorphism. Admittedly not in chemicals, but in
protein folds. Terminology can differ, so I agree that the javadocs
should be as clear as po
Sorry, in the previous message, 5 bonds out of 40 should be 10 bonds out of
60. The point is still valid, however.
Regards,
Leonid Chepelev
On Mon, Mar 8, 2010 at 1:29 PM, Leonid Chepelev
wrote:
> Thank you for answering, Gilleain.
>
> Hello, The term 'subgraph isomorphism' is (I think) usually
Thank you for answering, Gilleain.
Hello, The term 'subgraph isomorphism' is (I think) usually used to mean
> finding a subgraph of a graph G that is isomorphic to another graph H. What
> you describe sounds like the more difficult problem of finding all common
> subgraphs of G and H. So, I am not
Hello,
The term 'subgraph isomorphism' is (I think) usually used to mean
finding a subgraph of a graph G that is isomorphic to another graph H.
What you describe sounds like the more difficult problem of finding
all common subgraphs of G and H.
So, I am not so sure that the javadocs are unclear i
Hello All,
When trying to find all the subgraph isomorphisms, one would anticipate from
the javadocs that the use of the
UniversalIsomorphismTester.getSubgraphAtomsMaps of CDK 1.2.5 would
return ALL the subgraph isomorphisms in a molecule of interest. However,
that is not the case. I am posting th
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