This protocol uses the Join Data from File component to associate molecular properties (e.g. IC50, ALogP, etc.) from a CSV file to a multi-conformer database SD file. The first column of the CSV file contains the molecule name. A new SD file with the added properties will be written to the Output folder of the run directory.
How to use:
(1) Download the attachment and unzip it. It consists of the protocol and sample sd and csv files.
(2) Open Discovery Studio 2.0 client
(3) In the protocol explorer panel, right click at your
(4) Double click on the protocol to open its parameter explorer.