Uniques: Structures By Source. last updated:19 MAR 2017
The table below shows the numbers of structures (which have at least one current assignment) in UniChem broken down into the src_ids to which they are currently assigned ('TASC'), The numbers of structures unique to a single source are also shown ('UNIQ'). When viewing these numbers, please ensure you understand the provisos in their calculation.
The calculation of the numbers differ according to the definition of structural identity used. go here for a full explanation of the definitions of structural identity used in UniChem. But briefly... FULIK ... Full InChIKey. Structure definition based on Full InChIKey FIKHB ... First InChIKey Hash Block. Structure definition based on FIKHB SCFIB ... Separate Single Components of FIKHB used to define structure ...Select the definition of structural identity you require using the buttons below.
Click here for a detailed Legend, Definitions, etc
Definitions of Headers (Also shown as tooltips on hovering)
ULI (UniChem Load Index).
Clearly, each time any source is updated these numbers may change for all other sources. The numbers should therefore be recalculated for each new data load (ie: each ULI, or UniChem Load Index). However, the calculations are computationally very expensive, and often do not change very significantly between ULIs. For this reason, the calculations are not always run after every ULI. In the table below the data are shown for the most recent ULI for a given src_id/structure type combination. The Current ULI (520), if present, is highlighted in bold. Data from other ULIs (only shown if the current ULI data is missing), are shown in normal font. The 'last updated' date at the head of the page refers to when some of the data in this table was updated (ie: when the data on this page last changed). This may not correspond to the ULI dates shown in the table, as not all structural forms are updated simultaneously, and the page is not always updated on the same day as the last ULI was updated.
Hover over table headers for tooltip explanations of column content.
FULIK ... Full InChIKey. Structure definition based on Full InChIKey
FIKHB ... First InChIKey Hash Block. Structure definition based on FIKHB
SCFIB ... Separate Single Components of FIKHB used to define structure
All: Show data for all the above: FULIK, FIKHB and SCFIB
Default heatmap thresholds are the minimum and maximum values from the table of data, but you can define your own thresholds...
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