rdkit.ML.AnalyzeComposite module

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

-v: be verbose whilst screening

rdkit.ML.AnalyzeComposite.ErrorStats(conn, where, enrich=1)

rdkit.ML.AnalyzeComposite.ProcessIt(composites, nToConsider=3, verbose=0)

rdkit.ML.AnalyzeComposite.ShowStats(statD, enrich=1)

rdkit.ML.AnalyzeComposite.Usage()