Lets say instead of searching by keywords I want to draw out a reaction and have the search program search for the reaction or something similiar. What all programs allow me to do this?
Offhand I can only think of scifinder scholar. Are there any others that have access to endless reports, that allow this function and that are so common that I can either download them for free or my school will have access to them?
There are two others that I use in the UK. Neither are free of course or quite as good as scifinder but are cheaper for academics. There are no free ones as far as I know.
REACCS ( http://cds.dl.ac.uk/cds/datasets/orgchem/isis/reaccs.html ) and Beilstein
( http://crossfire.mcc.ac.uk/Commander7/webhelp/beilstein/beilstein.htm )
Could you provide an example of exactly what you’re trying to do, please?
I have no hope of answering your question, but the mission seems interesting.
No time to go dig for a link right now, but search for “reaction SMILES”. That’s the supposed-to-be-easy-to-search-on format for typing a chemical reaction.
smiles is indeed a representation scheme for reactions and compounds that some search engines use. However, what the OP is looking for is a free search engine, not how the search engine codes its data
Seconded.
Reaction data is hard to put into a database, and the people who want the information are willing to pay for it. I consider it extraordinarily unlikely that there is a free version.
Doesn’t ISIS also have a reaction search engine? I usually use Scifinder and Beilstein, but I recall using some ISIS-based search during an internship.
The REACCS link I posted uses an ISIS interface which is what you were thinking of. I dont know whether the company behind ISIS has anything to do with the search engine.
Wesley - if you have a particular search in mind it would not be a problem to look it up for you
Unless it involves taking a hydroxyl off of pseudoephedrine … 