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230911 IC50 curve fitting with outlier detection

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This workflow can be used to fit IC50 data.It produces a data table containing the extracted IC50 parameters, an automated evaluation of the extracted parameters, and the IC50 plotIt implements an automated outlier detection algorithm (detected outliers are painted in violet in the plots):Motulsky, H.J., Brown, R.E. Detecting outliers when fitting data with nonlinear regression – a new method based on robust nonlinear regression and the falsediscovery rate. BMC Bioinformatics 7, 123 (2006). https://doi.org/10.1186/1471-2105-7-123The curve fitting algorithm is based on the R drc package: Ritz C, Baty F, Streibig JC, Gerhard D (2015) Dose-Response Analysis Using R. PLoS ONE 10(12): e0146021. https://doi.org/10.1371/journal.pone.0146021 right click to configure the componentselect the columns forID - the ID of the measured sampleconcentration - the compound concentration of the sample (in micromolar) activity - the measured activity/response, usually a percent value Fits and plotsIC50 datatry to install "drc" package if not presentread IC50 testdata Calculate IC50 R Snippet Table Reader This workflow can be used to fit IC50 data.It produces a data table containing the extracted IC50 parameters, an automated evaluation of the extracted parameters, and the IC50 plotIt implements an automated outlier detection algorithm (detected outliers are painted in violet in the plots):Motulsky, H.J., Brown, R.E. Detecting outliers when fitting data with nonlinear regression – a new method based on robust nonlinear regression and the falsediscovery rate. BMC Bioinformatics 7, 123 (2006). https://doi.org/10.1186/1471-2105-7-123The curve fitting algorithm is based on the R drc package: Ritz C, Baty F, Streibig JC, Gerhard D (2015) Dose-Response Analysis Using R. PLoS ONE 10(12): e0146021. https://doi.org/10.1371/journal.pone.0146021 right click to configure the componentselect the columns forID - the ID of the measured sampleconcentration - the compound concentration of the sample (in micromolar) activity - the measured activity/response, usually a percent value Fits and plotsIC50 datatry to install "drc" package if not presentread IC50 testdata Calculate IC50 R Snippet Table Reader

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Created by: Neuenschwander.Marti
Created at: 2023-09-11
On NodePit since: 2023-09-11
Last update: 2024-12-21
Created with KNIME version: v5.1.0

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