Perfect search-atom properties

User 4b8a3205dc

13-08-2007 11:41:10

Is perfect search is performed by considering charge,isotope and radicals.


My target contains two molecules


N#[H]C([H])([H])C([H])([H])[H]


N#[2H]C([2H])([2H])C([2H])([2H])[2H]





The first one is my query."N#[H]C([H])([H])C([H])([H])[H]".


While i performed perfect search i got only one hit.


But when i gave option --isotope:ignore along with perfect search i am getting two hits.





So whether perfect search bydefault consider atom properties like charge,isotope and radicals other than properties like exact stereo, exact atom, exact bond matching,exact topology etc





warm regards,


jijibio

User 870ab5b546

13-08-2007 16:37:21

Hello,





Visit this page for lots of useful, detailed information about which properties are considered in which kinds of searches. This document is one of ChemAxon's most useful help pages. Your particular question is answered under "Other search types."





-- Bob

ChemAxon a3d59b832c

14-08-2007 07:30:04

Bob, Thanks for the excellent reply, I was about to reply the same. The Query Guide is the place for these kind of information.





Regards,


Szabolcs