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] pa.icar.cnr.it

Website: http://icar.cnr.it/p/antonino.fiannaca

Location: Italy

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ICAR-CNR
National Research Council of Italy

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Taverna 2

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Antonino Fiannaca

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

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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 http://www.borgelt.net/moss.html) , 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 http://biolab.pa.icar.cnr.it/biodice.html), implementing Fast Learning Self-Organized Map (FLSOM) algorithm. Finally the ...

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

Credits: Antonino Fiannaca Massimo La Rosa

Attributions: Get compound information Simple search

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