Feature request: plotting function

User e05b1833aa

19-09-2008 18:46:36

I'm sure many must already have wished for a plotting function (scatter plots, property distribution histograms, ability to select subsets of compounds in graphs, and obviously highlight a structure when hoovering over a data point), but I couldn't find it in the forum, so here it is. Is any of this type of functionality in the works? Graphs with property sliders as implemented in SpotFire would be really cool...

ChemAxon fa971619eb

19-09-2008 19:20:30

Yes this is a much requested feature, and is very high on our wish list of new features.

However, current developments concentrate on usabilities issues, aimed to make it easier for new users to get started with IJC. But once these issues have been solved then we certainly plan much enhanced visualization capabilities, including charting, sliders and all that.

We would welcome any particular suggestions you might have.


User e05b1833aa

23-09-2008 12:03:03

Well, there are some obvious functions many of us would like to see:

simple statistics on any table property, such as mean, median, minimum, maximum value, standard deviation

2D scatter plots of any vs. any numerical property, color-coded by a 3rd property, shaped by a 4th, and sized by a 5th property;

range sliders allowing to shrink or expand the plotting range (but this may infringe on SpotFire patents?)

radiobuttons to switch on or of certain predefined subsets in the plots

frequency histograms with bins, showing how many compounds fall within a certain range of f.e. molecular weight

being able to select subsets of compounds by choosing them from a plot or histogram

hovering over a data point should highlight the corresponding compound in the table and maybe show the structure separately

substructure searches and the like should mark the data points in the plot containing the queries

ChemAxon fa971619eb

23-09-2008 13:14:51

Thanks for those suggestions. Many were already on the radar, but its very useful to have this sort of feedback.