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 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:
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