This node implements a fast descriptor based 3D similarity measure described by Ballester et al ([Bellester, P.J. and Richards, W.G. , Ultrafast shape recognition to search compound databases for similar molecular shapes, Journal of Computational Chemistry, 2007, 28:1711-1723]). The similarity between two molecules is based on the distance values and evaluated using the inverse of a normalized Manhattan type metric.
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Popular Predecessors
- 3D Coordinates10 %
Row Filter (deprecated)7 %- MolConverter5 %
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- RDKit To Molecule5 %
Loop End4 %Row Splitter (deprecated)3 %- SDF Reader3 %
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Column Rename3 %- RDKit From Molecule2 %
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CSV Reader1 %- Group Loop Start1 %
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- Java Snippet1 %
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List Files< 1 %Recursive Loop Start< 1 %- Fingerprints< 1 %
Read MDB< 1 %- Load SD-Files (SDF)< 1 %
File Reader< 1 %- RowID< 1 %
- Column Splitter< 1 %
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- Table View (JavaScript)< 1 %
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