Compound view in Traing Set (train QSAR/QSPR) not synched

Hi,

(1)

I created a training set for a QSAR/QSPR training, and the dots representing the training set (pred vs exp) values are shown in red and blue. However hovering over a gray area with no molecules it actually shows the molecules. but when hovering over single dots it does not show anything, or after some zoom and re-zoom it is only showing molecules from time to time. Rerunning or wild clickin helps (its not a speed issue).

(2)

The exclusion of datapoints is also not possible, even after extsensive zooming with only one cmpd.

 

Instant JChem Version: 5.5 (build: 110509)
JChem Version: 5.5.0.0
JChem Table Version: 5050000
Marvin Version: 5.5.0.0 (build date: 2011-05-03)

 

Tobias

Hi Tobias,

Thanks for the report, we will fix these issues. Not sure when.

Zsolt

TobiasKind wrote:

(1) I created a training set for a QSAR/QSPR training, and the dots representing the training set (pred vs exp) values are shown in red and blue. However hovering over a gray area with no molecules it actually shows the molecules. but when hovering over single dots it does not show anything, or after some zoom and re-zoom it is only showing molecules from time to time. Rerunning or wild clickin helps (its not a speed issue).

Hi Tobias,

the issue (1) is fixed and will be available in the upcomming release. Thanks for the catch.

  Martin

That was quick. Thanks!

Tobias

the issue (2) is fixed and will be available in IJC 5.5.1. Thanks for the catch. Feel free to give us feedback after IJC 5.5.1 is relased.