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Showing posts from October, 2020

Data checks

ChEMBL contains a broad range of binding, functional and ADMET type assays in formats ranging from in vitro single protein assays to anti proliferative cell-based assays. Some variation is expected, even for very similar assays, since these are often performed by different groups and institutes. ChEMBL includes references for all bioactivity values so that full assay details can be reviewed if needed, however there are a number of other data checks that can be used to identify potentially problematic results. 1) Data validity comments:The data validity column was first included in ChEMBL v15 and flags activities with potential validity issues such as a non-standard unit for type or activities outside of the expected range. Users can review flagged activities and decide how these should be handled. The data validity column can be viewed on the interface (click 'Show/Hide columns' and select 'data validity comments') and can be found in the activities table in the full da…