Ahoy ZINC Fans
Alert and persistant ZINC user Doug Houston prompted us to implement a much requested feature - an estimate of the result count for a ZINC search. After you do the search, go to the "Query Detail" tab, where you will see an estimate of the number of molecules found. Two small caveats:
a. This is only for structural searches (SMILES and SMARTS). For any other query, the estimate is not displayed. If you do a Combination search, this estimate is only for the structural part.
b. This is pre-purchasability and other filters. Thus molecules in pubchem that are not purchasable are included in the count, no matter what purchasability filter you may have specified.
The maximum results are 5000 for anonymous users and 10,000 for authenticated users.
We hope this is useful, even with these caveats. We are working towards a completely general solution, but for now, this is what we could offer easily. Thanks to Teague (Gandalf) Sterling for the initiative to get this done, finally.