rdkit.ML.AnalyzeComposite

Package rdkit :: Package ML :: Module AnalyzeComposite |
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# Module AnalyzeComposite

source code

    command line utility to report on the contributions of descriptors to
    tree-based composite models

    Usage:  AnalyzeComposite [optional args] <models>

          <models>: file name(s) of pickled composite model(s)
            (this is the name of the db table if using a database)

        Optional Arguments:

          -n number: the number of levels of each model to consider

          -d dbname: the database from which to read the models

          -N Note: the note string to search for to pull models from the database

          -X: Send the results to Excel.  Note: will alter the current
              worksheet (by adding data to the end) and only works on
              systems with Excel installed.  It *is* safe to call this
              multiple times with a single worksheet.

          -v: be verbose whilst screening

Functions | [hide private]
ProcessIt(composites, nToConsider=3, verbose=0, reportToExcel=0) | source code
ErrorStats(conn, where, enrich=1) | source code
ShowStats(statD, enrich=1) | source code
Usage() | source code

Variables | [hide private]
| Excel = `None`
| __VERSION_STRING = ``'``2.2.0``'``

Imports: numpy, sys, cPickle, TreeUtils, Tree, Stats, DbConnect, ScreenComposite