SADSS is a KNIME workflow to apply a decision system, based on structural alerts, for the identification of substances with bioaccumulation potential. The SADSS KNIME workflow allows the user to simply verify the presence/absence of some bioaccumulation-related structural alerts in the molecules of his own dataset, contributing to a preliminary assessment. The output file associates to each molecules a tag: bioaccumulative, concern, out of the AD or unlabelled..
Conditions and warranty
The workflow is freeware and may be used (but not modified) if proper reference is given to the authors. Preferably refer to the followign paper:
Valsecchi, C., Grisoni, F., Consonni, V., Ballabio, D. (2019) Structural alerts for the identification of bioaccumulative compounds. Integrated Environmental Assessment and Management, 15, 19-28 [link]
In short, no guarantees, whatsoever, are given for the quality of this workflow or for the consequences of its use. It is inevitable that there will be some bugs, but we have tried to test the algorithms thoroughly.
Download
Fill in the following form. Your personal data will be used only for notification via email of new releases of the workflow and will not be communicated to external third parties. Once the form has been submitted, open the rar file and extract all the files in a unique folder. Have a look to the help in order to learn how the workflow works. If you experience any problem to downlaod the toolbox, write to davide.ballabio@unimib.it.