Chemistry
Column widgets related to chemistry

Overview

Below is a list of chemical-related column widgets.

Chemical Structure

Use this widget to display the chemical structure from a chemical drawing section. The widget cannot create or draw chemical structures; it can only display chemical structures from chemical drawing sections.
Readonly view:
Edit view:
Form view:
Not supported
Configuration
{
"should_auto_update": false, # (optional), default to false.
# If true, the widget will perform live calculation
# If false, the user have to click reload to update the value
"should_auto_update_when_empty": true, # (optional), default to true.
# If true, the widget will perform live calculation when the data is empty
# If false, the results will not be calculated on default
}
Import value:
Not supported

SMILES Structure

This widget uses Smiles Drawer to draw the chemical structure from SMILES.
Readonly view:
Edit view:
Form view:
Same as the edit view.
Configuration:
Not supported
Import value:
SMILES string.

Molecular Formula

This widget can:
  1. 1.
    Generate molecular formula from the name
  2. 2.
    Generate molecular weight
  3. 3.
    Generate SMILES (Simplified molecular-input line-entry system)
  4. 4.
    Generate molecular structure
This widget requires the creation of these columns before it can be used. By default, these columns are created automatically in the chemical table.
  • molecular_weight
  • SMILES
  • molecular_structure
Some function of chemcalc is used for this widget.
ChemCalc: a building block for tomorrow’s chemical infrastructure. Patiny, Luc; Borel, Alain Journal of Chemical Information and Modeling 2013. DOI:10.1021/ci300563h
Click the Generate formula button to get the molecular formula directly from the name. You can also click Edit button to enter the molecular formula manually.
Edit view:
Readonly view:
Click the Generate data button to generate the molecular weight, SMILES, and molecular structure.
Form view:
Same as the edit view
Configuration:
{
"should_use_mw": false, # optional, if false, nominal mass will be used.
"molecular_weight": {"sid":"xxx", "name":"xxx"},
"SMILES": {"sid":"xxx", "name":"xxx"},
"molecular_structure": {"sid":"xxx", "name":"xxx"}
}
Import value:
Formula string.
Last modified 24d ago
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On this page
Overview
Chemical Structure
SMILES Structure
Molecular Formula