Workflows

ART-2a Classification Considering Differen... (2)

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This workflow classifies the given CSV files with the ART-2a algorithm. The results are visualized in a PDF file. The QSAR dara is loaded from CSV files and merged together by the Merge_QSAR_Vectors worker. Afterwards they are converted into a fingerprint items list which is the suitable data type for the ART-2a algorithm.

Created: 2010-12-13 | Last updated: 2011-07-21

ART-2a Classification Result As PDF (2)

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This workflow classifies a given CSV file with the ART-2a algorithm. The results are visualized in a PDF file. The QSAR data is loaded from a CSV file and converted into a fingerprint items list which is the suitable data type for the ART-2a algorithm.

Created: 2010-12-09 | Last updated: 2011-07-21

Curate QSAR descriptor CSV file (2)

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This workflow erases descriptor entries which were not calculated. The QSAR data is loaded from a CSV file and afterwards processed by the Curate_QSAR_Vector worker. At the end the curated CSV file is written to hard disk.

Created: 2010-12-09 | Last updated: 2011-07-21

Merge QSAR descriptor CSV files (3)

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This workflow merges QSAR descriptor CSV files into a single CSV file. The workflow loads the CSV files from hard disk and builds a single QSAR descriptor vector. Afterwards the vector is converted in one single CSV file and saved to hard disk.

Created: 2010-12-09 | Last updated: 2011-07-21

Substructure filter (1)

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Created: 2011-07-21 | Last updated: 2011-07-21