It User: Antonino Fiannaca


Name: Antonino Fiannaca

Joined: Thursday 18 October 2012 15:03:36 (UTC)

Last seen: Thursday 09 January 2014 11:16:35 (UTC)

Email (public): fiannaca [at]


Location: Italy

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National Research Council of Italy


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Workflow Clustering of Molecular Compounds with Bio... (4)

This workflow downloads an input set of molecular compounds in SMILES format, using Chemspider service. The most frequent molecular fragments are extracted by means of MoSS tool (see , in order to obtain a set of features for each compound. Then a clustering and a visual exploration of the input dataset is performed by BioDICE service (see, implementing Fast Learning Self-Organized Map (FLSOM) algorithm. Finally the ...

Created: 2013-05-29 | Last updated: 2014-01-09

Credits: User Antonino Fiannaca User Massimo La Rosa

Attributions: Workflow Get compound information Workflow Simple search

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