Pack: KNIME workflows from Zdrazil et al, MedChemComm, 2016: "From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter"

Created: 2016-07-20 06:21:03      Last updated: 2017-06-22 13:35:07
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Title: KNIME workflows from Zdrazil et al, MedChemComm, 2016: "From linked open data to molecular interaction: studying selectivity trends for ligands of the human serotonin and dopamine transporter"


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Included are 2 KNIME workflows for data retrieval and processing:

1) a KNIME workflow called "Transporter_Profiling_SERT_DAT_HERGlabel" with HERG labels included

2) a KNIME workflow called "Transporter_Profiling_SERT_DAT_Ki_IC50_tailored_TH" without HERG labels

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