We’re sometimes asked what the ‘activity_comments’ in the ChEMBL database mean. In this Blog post, we’ll use aspirin as an example to explain some of the more common activity comments. First, let’s review the bioactivity data included in ChEMBL. We extract bioactivity data directly from seven core medicinal chemistry journals . Some common activity types, such as IC50s, are standardised to allow broad comparisons across assays; the standardised data can be found in the standard_value , standard_relation and standard_units fields. Original data is retained in the database downloads in the value , relation and units fields. However, we extract all data from a publication including non-numerical bioactivity and ADME data. In these cases, the activity comments may be populated during the ChEMBL extraction-curation process in order to capture the author's overall conclusions . Similarly, for depos...
The Organization of Drug Discovery Data
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