Intro to Compound Registration

Compound Registration

The compounds (the compound information) is often delivered as excel sheets or SD files (the old MDL compound file format). Below you can see how to get the data into the system - depending on what format you have - and then how to map the columns from the files to the columns in the database.

The compounds need to be registered first and hence exist in the system before any in silico data is loaded (linked to the compound) or batches are registered.

Compound Types

The grit42 platform can handle several compound forms (Modalities). Currently we support small molecules, antibodies and oligonucleotides but other compound types - with other relevant meta data - can be configured.

Before uploading any compounds to the system these compound types need to be configured in the system (we do that with you as part of the implementation). What you need to define (tell us) is what columns (information) you want to store on each of the - for you - relevant compound types.