openmolecules.org Forum - RDF feed
https://openmolecules.org/forum/index.php
Displaying change in r value from a selected sample of a dataset
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1808&th=641#msg_1808
a sample from a larger dataset. This I find really helpful for example, in looking for sub sets of compounds that may have some possible correlation but may be overlooked when you just look at the dataset as a whole.
However, when doing this in DW, the r values does not correspondingly change to the new fitted line (see attached image for clarification).
- i.e., in the attached image you can take a sample and see the change in the fitted line but the r value stays the same, in this case at 0.49.
It would be good to also see not only the new fitted line on the selected sample, but also the change in the r value as well.
Is it possible to add this as a (minor?) feature change?
]]>Jo W2023-01-17T13:57:55-00:00Re: Displaying change in r value from a selected sample of a dataset
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1813&th=641#msg_1813
thomas2023-01-20T11:44:24-00:00Re: Displaying change in r value from a selected sample of a dataset
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1814&th=641#msg_1814
Jo W2023-01-20T12:34:19-00:00Re: Displaying change in r value from a selected sample of a dataset
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1815&th=641#msg_1815
Is it also possible to add this to "Assess Prediction Quality" feature- i.e., a selected portion of the 2D graph is assessed rather then the existing choice which at the moment is the "structure" column in the table?]]>Jo W2023-01-21T13:53:41-00:00Re: Displaying change in r value from a selected sample of a dataset
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1816&th=641#msg_1816
thomas2023-01-22T17:07:51-00:00Re: Displaying change in r value from a selected sample of a dataset
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1839&th=641#msg_1839
It would also be convenient sometimes, to keep the various predictions in the same DW file rather than generate a new one and ideally have all the predictions on the same graph - and if possible to colour code each of the generated fitted lines (e.g predicted vs experimental generated from KNN, PLS etc) to easily visually compare the predictions and also have the r values listed. Is that possible?]]>Jo W2023-02-03T22:08:52-00:00Re: Displaying change in r value from a selected sample of a dataset
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1843&th=641#msg_1843
When selected data points are highlighted on the 2D graph, the r-value is now adjusted due to the recent update.
However, the correlation matrix is not temporarily updated - is it possible to also see the correlation table updated - ie it shows the correlations of just the selected data points (until they are deselected)? At the moment that is not the case.]]>Jo W2023-02-09T01:46:39-00:00Re: Displaying change in r value from a selected sample of a dataset
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1857&th=641#msg_1857
Thomas]]>thomas2023-02-21T13:59:22-00:00