There are so many different names for what you would think are common descriptors. Just think about molecular weight with all its variations, including “MolWT”, “MW”, “mw”, “molwt”, and “mwt”.
Egon Willighagen [ Admin ]
Andrew, I think such a list is silly because many descriptors actually have different forms depending on how they were calculated. MW (or Mw, molw, etc) is different between toolkits anyway, even if the algorithm is exactly the same. Moreover, descriptors like the radial distribution function descriptor types depend on parameters, so that you have to make up such short codes on the fly anyway.
- Spjuth, O., Willighagen, E., Guha, R., Eklund, M. & Wikberg, J. Towards interoperable and reproducible QSAR analyses: Exchange of datasets.Journal of Cheminformatics 2, 5+ (2010). URL http://dx.doi.org/10.1186/1758-2946-2-5.
- Guha, R. et al. The Blue Obelisk - interoperability in chemical informatics. Journal of Chemical Information and Modeling 46, 991-998 (2006). URL http://dx.doi.org/10.1021/ci050400b.