563 This workflow loads iteratively molecules from a database. For each molecule the atom typse are perceived before the hydrogens are added and the aromaticity is detected. Than the QSAR worker calculates the selected descriptors. The result of this calculation is stored in database table. Taverna 1 Thomasku Sat Nov 15 15:12:05 UTC 2008 http://www.myexperiment.org/workflows/563/versions/1/previews/full by-sa http://www.myexperiment.org/workflows/563/download/calculation_of_molecular_descriptors_for_molecules_loaded_from_database_326595.xml application/vnd.taverna.scufl+xml cdk-taverna qsar loading molecules from database aromaticity detection atom typing save qsar vector in database iterative molecule from database loading postgres pgchem::tigress