Snapshot of the 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"

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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"
Items 7
Created by Barbara Zdrazil
Created at 06:21:03 on Wednesday, 20 July 2016
Last updated at 13:35:07 on Thursday, 22 June 2017

Description

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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