KNIME MoSS node version 4.3.0.v202011191214 by KNIME AG, Zurich, Switzerland
This nodes computes similarities between pairs of molecules by taking the size of their MCSS as a measure
for similarity (the bigger the MCSS the more similar the molecules are). For computing the MCSS, the
substructure miner MoSS is used. Since the computation of a MCSS is a complex problem and can take quite
a lot of time you can set a timeout after which the computation of a single MCSS between two molecule is aborted.
In this case the distance between the two molecules will be the biggest common substructure found so far.
This node may use quite a lot of memory thus if you run into problems try to increase the available heap size for KNIME in the
To use this node in KNIME, install KNIME Chemistry Add-Ons from the following update site:
A zipped version of the software site can be downloaded here.
You don't know what to do with this link? Read our NodePit Product and Node Installation Guide that explains you in detail how to install nodes to your KNIME Analytics Platform.
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