Hi Nina,

Are there any dataset available with the following fields, at any URI
a) SMILE
b) Any toxicity endpoint
c) An identification no. for the molecule

I kind of need a sample dataset service (in the API) format .... to make
sure the Maxtox code can retrieve a dataset in the API enabled manner.

Also, Could you please help me conceptualize how we would present our
feature ....
As of now I have made a "Fingerprinter Generator" which generates a
dictionary(as discussed in an earlier mail) and a Fingerprinter Algorithm .
This is done via POSTing a dataset to the generator.
Later the generated Fingerprinter will generate a feature for a database
(POSTed) to it ....
This feature (for each molecule in the dataset ) , will be a long list of
1's and 0's and will have an associated dictionary and source set molecules
(Question : Since not all compounds are not suitable for the graph search -
we usually have a subset of a dataset as the source. Do we need to create a
new dataset representation for the purpose of the generated fingerprinter
?)

How can I represent this feature within the API ?

Thanks for the help ....
Surajit Ray