Single compound registration

Singleton registration

Compounds (and structures) are normally added to the grit42 platform via upload from Structure Data Files (SD Files) with the structures represented by the Molblock or via csv files where the structures are represented via smiles strings.

But the compounds (Note: currently not supporting including the structures) can also be added one-by-one as so-called “Singleton registrations”. This is naturally relevant when a user wants to add one or two compounds where entering them manuel may be easier/faster than creating a compatible file for upload.

In order to initiate the registration process click the “Register compound” button on the top right of the general Compounds grid.

Then choose the relevant “Compound Type” from the appearing dropdown. Note: The compound types and the name of them will depend on the implementation and local configuration.

A “Register compound” form will appear. The input fields and the name of them will depend/match the compound type selected. Below is a very simple, minimal form shown as an example.

Note: Smiles is not yet supported and the field is hence currently disabled. Will be coming soon together with small molecule structure drawing.