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08_​Chemical_​Topic_​Modeling

RDKit Chemical Topic Modeling Example

Demonstrates using KNIME text mining nodes to do chemical topic modeling following the approach described in https://dx.doi.org/10.1021/acs.jcim.7b00249

Chemical topic modelingThis workflow demonstrates the use of KNIME to dochemical topic modeling as published by Schneider et al.in https://dx.doi.org/10.1021/acs.jcim.7b00249KNIME extensions required:Text mining, Python 3 integration (from labs), RDKitAdditional Python environment requirements:RDKit, CheTo (both can be installed using conda from therdkit channel). documents per topictopics per documentMolecules assigned to topicsTopic definitionsNode 38Node 39 fingerprintand do LDA GroupBy GroupBy Interactive Table Interactive Table Table Reader Column Resorter Chemical topic modelingThis workflow demonstrates the use of KNIME to dochemical topic modeling as published by Schneider et al.in https://dx.doi.org/10.1021/acs.jcim.7b00249KNIME extensions required:Text mining, Python 3 integration (from labs), RDKitAdditional Python environment requirements:RDKit, CheTo (both can be installed using conda from therdkit channel). documents per topictopics per documentMolecules assigned to topicsTopic definitionsNode 38Node 39 fingerprintand do LDA GroupBy GroupBy Interactive Table Interactive Table Table Reader Column Resorter

Nodes

Extensions