Files
rdkit/Contrib/NP_Score
Greg Landrum 24f1737839 Remove a bunch of Python2-related warts (#2315)
* remove all of the "from __future__" imports

* remove the first batch of rdkit.six imports/uses

* next step of rdkit.six removal

* removing xrange, range, and some maps

* next round of removals

* next round of cleanups

* fix inchi test

* last bits of "from rdkit.six" are gone

* and the last of the six stuff is gone

* strange importlib problem
2019-03-06 20:43:49 -05:00
..

RDKit-based implementation of the method described in:

Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries 
Peter Ertl, Silvio Roggo, and Ansgar Schuffenhauer
Journal of Chemical Information and Modeling, 48, 68-74 (2008)
http://pubs.acs.org/doi/abs/10.1021/ci700286x

Contribution from Peter Ertl