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Calculation of molecular descriptors for molecules loaded from database

Created: 2008-11-15 15:12:05

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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Avatar De Thomasku

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3009 viewings

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Version History

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  1. Calculation of molecular descriptors for molecules loaded from database

    Created by Thomasku on Saturday 15 November 2008 15:12:06 (UTC)



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