- 2001: oxygen paths of length 3 [10.1021/ci000116e]
- 2002: a molecular shape descriptor [10.1021/ci000100o]
- 2003: molecular signature [10.1021/ci020345w]
- 2004: 4D-fingerprint [10.1021/ci049898s]
- 2005: summed NMR shift difference [10.1021/ci049643e]
If you know additional new descriptors, or feel like discussion one or more of the above, please leave a comment.
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)
ReplyDeleteIn 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).