SimDivFilters.SimilarityPickers

Package SimDivFilters :: Module SimilarityPickers |
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[frames] | no frames]

# Module SimilarityPickers

source code

Classes | [hide private]
| GenericPicker
| TopNOverallPicker A class for picking the top N overall best matches across a library Connect to a database and build molecules: >>> import Chem >>> import os.path >>> from Dbase.DbConnection import DbConnect >>> dbName = RDConfig.RDTestDatabase >>> conn = DbConnect(dbName,'simple_mols1') >>> [x.upper() for x in conn.GetColumnNames()] ['SMILES', 'ID'] >>> mols = [] >>> for smi,id in conn.GetData(): ...
| SpreadPicker A class for picking the best matches across a library Connect to a database: >>> import Chem >>> import os.path >>> from Dbase.DbConnection import DbConnect >>> dbName = RDConfig.RDTestDatabase >>> conn = DbConnect(dbName,'simple_mols1') >>> [x.upper() for x in conn.GetColumnNames()] ['SMILES', 'ID'] >>> mols = [] >>> for smi,id in conn.GetData(): ...

Functions | [hide private]
_test() | source code