Mcule is (at-least in part) a centralized commercial screening library
Searching their library with a free (but annoying to use) account* using our S2-hit-compound's InChIKey as the input revealed around 800 results with internal mcule ID's - these compounds are likely purchasable!
I have uploaded a CSV file that can be opened in data-warrior - it contains the SMILES strings and product id codes should we want to order a certain product
Thoughts @kym834 @mattodd @drc007
*note: I did not use manifold for this endeavor rather I used there internal search tool......
Mcule is (at-least in part) a centralized commercial screening library
Searching their library with a free (but annoying to use) account* using our S2-hit-compound's InChIKey as the input revealed around 800 results with internal mcule ID's - these compounds are likely purchasable!
I have uploaded a CSV file that can be opened in data-warrior - it contains the SMILES strings and product id codes should we want to order a certain product
Thoughts @kym834 @mattodd @drc007
*note: I did not use manifold for this endeavor rather I used there internal search tool......