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Friday, February 24, 2006

Novel QSAR and QSPR descriptors?

For the past few weeks I have been working on a review article, which will contain a section with new QSAR/QSPR descriptors published in the period 2000-now. Here are a few:


If you know additional new descriptors, or feel like discussion one or more of the above, please leave a comment.

1 comment:

  1. Regarding the oxygen-path descriptor, it seems very similar to the general weighted path descriptor, just that it is specific for oxygens (at least from a cursory reading of the paper)

    In that case, ADAPT has already contained these type of descriptos (http://blue.chem.psu.edu/~rajarshi/adapt/desccode.html#dmwp)
    for some time.


    Also, are you just considering descriptor types? Or are you also considering descriptors for applications? If you're including the latter, the descriptors for proteomics maps (look for papers by Basak and Randic) are interesting (basically, eigenvalue type descriptors).

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