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Items tagged with "iterative molecule from database loading" (1)

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Workflows (1)

Taverna 1

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Thomasku

Calculation of molecular descriptors for m... (1)

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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.

Created: 2008-11-15

Credits: Thomasku

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Non-Information Resource URI: http://www.myexperiment.org/tags/1032

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