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Published TCIMAIL newest issue No.198
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How to Search by Structural Formula
- Draw a structural formula using drawing tools.
- Select the search type, and click [Search].
Set up Search Options and Additional Criteria as necessary.
About Drawing Tools
The Upper Toolbar
- Clears the editing area.
- Imports the structure.
[Add]: Appends the structure to the contents of the editing area.
[Replace]: Overwrites the contents of the editing area with a new structure. 
- Saves the structure to the selected format or as an image.
- Undoes the last edited step.
- Redoes the previous action.
- Cuts the selected structure to the clipboard.
- Creates a copy of the selected structure to the clipboard.
- Places the cut or copied structure onto the editing area.
- Zooms the structures in the editing erea.
The zoom ratio can be changed by scrolling the mouse wheel.
The Left Toolbar
- Selects the structure, moves and rotates it.
- Erases the structure from the editing erea.
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- Draws the new bond and hydrocarbon chain.
- Increases the charge of an atom by one unit with each click.
- Decreases the charge of an atom by one unit with each click.
The Right Toolbar
- Opens the Periodic table and draws the selected atom.
～ 
- Draws the selected atom.
- Creates the abbreviated group.
Open the Abbreviated groups dialog by clicking this button. Start typing and select a group from the drop down list.
You can place the selected group on the editing area with a click.
When [Expand] checkbox is ticked, the abbreviated group will be in fully expanded form. 
～ 
- Draws new hydrocarbon chain ring.
ChemDraw
To import a structure from ChemDraw, follow the procedure below.
① Save the structure created with ChemDraw or copy it in the form of "CDXML Text".
② Click the import button.
③ To import the saved data, select the data of the structure you want to import from [Reference] of Open file.
④ To import the copied data, paste the data from the Paste source and select [Add] or [Replace].
Search For
| Substructure | Search for structures that contain the drawn structure. The results are displayed in order of decreasing molecular weight. |
| Exact Match | Search for structures that match exactly with the drawn structure. |
| Similarity | Search for structures that are structurally similar to the drawn structure. Similarity ratio can be changed by entering percentage in the right input box. |
| Superstructure | Breakdown the drawn structure into fragments and search for structures. |
Search Options
| Stereo | When checkbox is ticked, a chiral flag is not ignored in search. |
Additional Criteria
| Molecular Weight (M.W.) | By entering numbers in the two text boxes, you can search for structures within a specific range. By entering only one of them, you can search for either the upper or lower specified molecular weight. |
| mp/fp ℃ | By entering numbers in the two text boxes, you can search for structures within a specific range. By entering only one of them, you can search for either the upper or lower specified temperature limit. |