Compares molecule fingerprints and lists identifiers of molecules having scores larger than a preset threshold. The node is optimized for processing of larger sets of molecules (tested with 50'000 molecules, processing time is less than 5 minutes on a Core i5 with 3 Ghz). Prevents comparison of a molecule to itself
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To use this node in KNIME, install the extension HTS Data Mining from the below update site following our NodePit Product and Node Installation Guide:
A zipped version of the software site can be downloaded here.
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