Selecting Query and Target Structures
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- Click on the R-group Decomposition Standard ribbon button to open the R-group Decomposition form.
- The R-group decomposition wizard opens.
- If you would like to generate a Structure-Acivity Relationship (SAR) table from your data, you have to check-in the "Generate SAR table only" button. In this case R-group decomposition process will run, and based on the results, an SAR worksheet will be generated.
- Specify the query structure by:
- Clicking on the Browse button to open a file. It is indicated if the format of the selected file cannot be recognized by the system (red exclamation mark with tooltip).
- Dragging the file containing the query structure over the picture box.
- Entering a file name with path. It is indicated if the specified file does not exists (red exclamation mark with tooltip).
- Double-clicking on the picture box to open the structure editor and drawing the structure for the query.
- Paste a structure from the clipboard by using the Paste right-click menu item over the picture box.
- According to the appropriate option (in Options/General/R-group Decomposition) the system will use the active cell in the file or remembers the previously specified query structure within a session.
- Specify the Target Structures:
- Select a file by clicking on the File Open button. It is indicated if the format of the selected file cannot be recognized by the system (red exclamation mark with tool tip).
- Enter a file name with path. It is indicated if the specified file does not exist (red exclamation mark with tool tip).
- Select a worksheet and a structure column, which contains the target structures. According to the appropriate settings in Options/General/Misc/Structure Detection Type columns containing structures are listed in Structure Column drop-down list. If the current spreadsheet contains more than one structure columns, the one to be used in the R-group Decomposition process can be selected here.
Please note that with "Include hidden structures as well" check-box you can specify if you want to include any kind of hidden structures in the decomposition process. This check-box is valid for hidden rows and columns as well. If there are both hidden columns and rows on the spreadsheet, checking in this check-box will include all structures from hidden rows and columns.
My data has headers: similar to basic Excel functionality in sorting data, it can be specified if the user wants to take into account the content of the first row on the sheet. If this check-box is selected the first row of the spreadsheet is considered as a header row, which contains no structures, this way will not be included in the decomposition process.
Specify the destination where to put the results:
- By default To Different Location is selected, which means that the results of the R-group decomposition process will be placed to an empty new worksheet.
- New columns right from the target structures: you can also select to insert the results on the right side of the structures, in this current example case between column Structure and ID. The name of the new sheet can be specified in the New sheet combo-box, it is indicated if the entered sheet name already exists or blank or contains not allowed characters (red exclamation mark with tooltip).
- Select an existing worksheet from the combo box for the import.
- Rename Target Worksheet: It is possible to rename the target worksheet to the name of the file containing target structures by selecting the check-box. The target worksheet won't be renamed if the name of the file contains any invalid characters, which are not allowed in sheet names (e.g.: square brackets) even if the check-box is selected. The default state of the check-box can be specified in the Options form (see the description in Options|General|Worksheet Name topic). If there are structures displayed on the worksheet this option is disabled even if the current option in Options is set to TRUE. (Please, note that in case of Office 2013 To Workbook and Worksheet is deactivated, results can be displayed only on one of the sheets in currently opened workbook.)
- Data Placement
These options are useful when the results are selected to be placed to a worksheet, which is not empty.
- Append: The results will be appended to the existing structures and data from the specified cell.
- Overwrite: The results will overwrite the existing structures and data on the worksheet.
- Start: The column and row number can be specified or the active cell can be selected as starting cell for the process.
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