Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC)

Abstract

Out of-the-box the user can load MDL SDFiles and can search, browse and print the content of SDFiles. After the import the user can either load existing search forms or can define her/his own search form using simple drag and drop. After the search from is defined the user can paste structures in MDL Molfile format using e.g. ISIS/Draw, MDL Draw, ChemDraw or any drawing package that can produce a Molfile. When the user selects a search form object that is associated with alphanumeric data, PCC displays a dialog that allows the user to define query terms using operators that can be picked from a dropdown list, thus eliminating problems with different query syntax for text searches in different data sources.

Extracted Key Phrases

Cite this paper

@inproceedings{Himmler2008FreeCS, title={Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC)}, author={Hans-J{\"{u}rgen Himmler and Alexander Kos}, year={2008} }