- 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.
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