Package rdkit :: Package ML :: Module AnalyzeComposite

Module AnalyzeComposite

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

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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