The instant jchem demo data, it has a field (it names 'IUPAC name'). It can de searched, and it is full name. But now, i want to search a string for short.
Example, i search 'X-phos' or 'Na2S' or 'NaCl' (in 'IUPAC name' field).
How can i do?
You can to do it in query builder.
For example 'X-phos' or 'Na2S' or 'NaCl' (in 'IUPAC name' field):
1) Add IUPAC name field, set operator to contains and fill 'X-photos' value
2) Click to first line in query builder window (AND ), and "change to OR" from popup menu by using mouse
3) Add IUPAC name field, set operator to contains and fill 'Na2S' value
4) Add IUPAC name field, set operator to contains and fill 'NaCl' value
Feel free to ask any other question is it's not clear.
As just suggeseted searching for substrings in a text field is possible, but your best bet might be to run these as structure searches as this will give more reproducible results.
e.g. to seach for NaCl you can specify the sodium and chlorine atoms as separate atoms as the structure query (no bond betwen them) and then run a substructure search. This will give you all structures that contain a sodium atom and a chlorine atom.
You can fine tune this considerably. Try:
- using substructure vs. full fragment searches
- try specifying charges on the atoms where this is important (see the atom matching options for further control)
- use bonds between the atoms when they should be directly connected.
Another thing to bear in mind is that you can search on the molecular formula field. So 'contains S2' would find things that contain 2 sulphur atoms (well, to be strictly correct 20, 21..., 200,,, as well).
And you can combine these approaches into a single search.
Thanks for Petr and Tim。 Thanks for your help。