This web tool enables users to visualise the sensitivity of a given chemical transformation to user-defined reaction conditions. The output plots are closely based on an original concept from the Glorius research group.
This tool is still a work in progress, and feedback is very welcome, whether feature requests, bug reports, or even highlighting a feature you find particularly useful so we know not to remove it when streamlining the tool. To provide feedback, click the “Provide Feedback” link on the right side of the header, which will open up a form to submit it.
Select the reaction outcome of interest (e.g., commonly reaction yield, ee or de) and define the number of experimental parameters, or “test conditions”, that you have used in your sensitivity analysis.
If you have conducted repeat reactions for each test condition, then select the number of experiments that were carried out.
Input the value of the reaction outcome (yield, ee or de) for your optimised “standard conditions”.
Add labels to define each test condition that was used in your sensitivity analysis, and add the value of the reaction outcome for each test reaction.
Select the “value to plot”. Values of the reaction outcome can be plotted directly, or deviation of the outcome from the standard conditions may be used.
Tools for customisation of the plot are available beneath the plotting window.
Basic formatting: You can format text entered in the Title and various other fields by clicking on the formatting buttons in the toolbar that appears above the text-input boxes when they're selected, either by clicking the box then entering text, or by selecting text and then clicking the buttons. If the text is longer than the box can fit in one line, a scrollbar will appear at the right side of the box allowing you to scroll up and down lines of text.
This formatting is done through a LaTeX equation rendering engine, which results in some unavoidable quirks such as it always putting spaces around mathematical operators. If the renderer fails to parse the text, it will appear as a black bar on the chart. The most common cause of this is less-than and greater-than symbols, which get interpreted as HTML tags. This can by worked around by replacing them with “\gt” and “\lt” respectively.
Special symbols: A toolbar option to insert special symbols is still under development. For the time being, you can copy and paste desired symbols from the following lists:
If you need a symbol not listed here, you can search for it at UnicodePlus and copy it from there.
Advanced formatting: If you're familiar with LaTeX markup, you can use it to directly set the text that will appear on the chart, or you can use a LaTeX equation editor to help. Malformed LaTeX markup will appear as red on the chart, or may result in the renderer failing entirely, resulting in the text appearing as a black bar on the chart.
