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Query :: "[r6][OX2][CH2]"

Comment:Ether is detected with match one


Query :: "[r6,!r5][OX2][C]"

Comment:It should have to give 3 atoms only but this shows there is a logical error in SQT(i think)


Query :: "c:c:c:n:c:c"

Comment:Aromatic symbols are also identified


>

Query :: "c:c:c:c:c:c"

Comment:again a simple detection of ring


Query :: "[OX1]=[CX3]~[NH1]~[CX3]=[OX1]"

Comment:the active compenent of glitazones

This query can also be represented as several other way all of them are working



MCSS Gallery


Mcss(Maximum common substructure search) is implemented in molpharm to provide the visual analysis of the common substructure. The figure shows the substructure in aspirin when searched against salicylic acid.


Protein Model



Pharmacophore


I will put some more figures as the development will move forward. please feel free to ask for any particular query result.This framework i am using is for testing various results of the functionality that is available.