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Thomasku

Calculation of molecular descriptors for molecules loaded from database (v1)

Created: 15/11/08 @ 15:12:05

Credits: Thomasku

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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.

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