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Items tagged with "save qsar vector in database" (1)

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

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

Credits: User Thomasku

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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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.

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