List of predefined smarts to use in chemical terms

User 9aa4619393

05-02-2013 13:27:09


Where do I find the list of predefined smarts that I can use in a Chemical Term Query or Field , for example in combination with the match() function?

I can see that things like match(alcohol) or match(phenol) work, but I would like to see the whole list of what is available to document it for our users. There is a link on your website:

but it's dead - file not found.



ChemAxon 2bdd02d1e5

05-02-2013 14:26:17

Hi Anna,

As you probably know, here are described parametrs the  function takes -

Therefore I guess that all standard trivial names are accepted but I'm really not sure if there is some list of supported trivial chemical names.

Perhaps someone whose developing this part can help? Moving to appropriate forum.


ChemAxon 99d87cf303

05-02-2013 15:24:01

Hi Anna,

when you are within the parentheses you can press Ctrl+Space and then you are shown the list of predefined tokens. Then as you start typing the list get reduced accordingly.

See the attached screenshot.

I'm unsure if that is the complete list or just some selected subset. Guys from the Marvin might provide more details.

- Martin

User 9aa4619393

05-02-2013 16:40:28

Hi Filip, Martin

this is really helpful, much better than documentation :)

Thanks !