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

Further Bioclipse QSAR functionality development

Creators & Contributors

  • 1. ROR icon Wageningen University & Research

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.

Dates

Issued
2007-07-26T02:00:00
Updated
2025-02-15T01:00:00