ADMET Predictor® User Manual

4.3.3. Sorting the Spreadsheet

4.3.3. Sorting the Spreadsheet

Sorting within the R Tables tab is similar to sorting within the Compounds tab, as described in the earlier section. Simply click on the desired column header (for hierarchical sort, first hold down the Ctrl key), or right-click the column header and select the Sort option.

The R-group spreadsheet columns (designated with “R” followed by a number) may support more than one type of sort: for instance you may wish to sort by the molecular weight of the group or by the type of connections made by the group back to the scaffold. These options become available by right-clicking on the header row of any R-group column.

The column labeled R Pattern is particularly useful for sorting the table, since it groups together molecules having R groups at identical positions on the scaffold. Similarly, sorting the R Count column groups together molecules having the same number of heavy-atom substitutions, with ties broken using the R Pattern column described above. See the section describing spreadsheet columns for more information.