Published July 26, 2007 | https://doi.org/10.59350/d98p9-06w80

Further Bioclipse QSAR functionality development

Creators & Contributors

I had some time to work some more on the QSAR functionality in Bioclipse. There is still much to do, but it is getting there. The calculation of a QSAR descriptor data matrix

This screenshot shows that multi-resource selection is now working, and that the calculation is now a Job. The resulting matrix looks like:

Things that remain to be done:

  • work on a SDF resource
  • a graph view for the matrix
  • R functionality for the matrices
  • JOELib support

Additional details

Description

I had some time to work some more on the QSAR functionality in Bioclipse. There is still much to do, but it is getting there.

Identifiers

UUID
22c2a085-f451-4e6a-9edc-86e0f176db9d
GUID
https://doi.org/10.59350/d98p9-06w80
URL
https://chem-bla-ics.linkedchemistry.info/2007/07/26/further-bioclipse-qsar-functionality.html

Dates

Issued
2007-07-26T00:00:00
Updated
2025-02-15T00:00:00