NP Likeness with confidence value (#1608)
NP Likeness with confidence value (#1608)

* NP Likeness with confidence value
added a scoring variant with an additional confidence value between 0..1
that describes how many fragments of the tested compound were found in the model data set.

* fixed indentation

* added some documentation

* namedtuple, no rounding

* other changes to module as requested by reviewer
* replaced occurrences of sys.stderr.write by print

greglandrum/rdkit,greglandrum/rdkit,rdkit/rdkit,rdkit/rdkit,ptosco/rdkit,ptosco/rdkit,ptosco/rdkit,greglandrum/rdkit,greglandrum/rdkit,ptosco/rdkit,rdkit/rdkit,ptosco/rdkit,bp-kelley/rdkit,rdkit/rdkit,ptosco/rdkit,bp-kelley/rdkit,bp-kelley/rdkit,greglandrum/rdkit,ptosco/rdkit,bp-kelley/rdkit,bp-kelley/rdkit,greglandrum/rdkit,greglandrum/rdkit,rdkit/rdkit,rdkit/rdkit,bp-kelley/rdkit,rdkit/rdkit,greglandrum/rdkit,bp-kelley/rdkit,bp-kelley/rdkit,rdkit/rdkit,ptosco/rdkit