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Tox Alert Skin Sensitization example workflow

Tox Alert Skin Sensitization example workflow
Check if the flag from Enoch et al.is within the collection column, which contains all new flagsbased on the new SMARTS. This workflow compares results of the original paper with results based on revised SMARTS. Check if the flag from Enoch et al.is within the collection column, which contains all new flagsbased on the new SMARTS. top: valid moleculesbottom: erroneous moleculesTop: matching flagsBottom: flags based on the new SMARTS don't match the flag originally published Top: matching flagsBottom: flags based on the new SMARTS don't match the flag originally publishedTraining data setValidation data settop: valid moleculesbottom: erroneous moleculesTox Alert SkinSensitization Rule-basedRow Splitter Rule-basedRow Splitter Table Reader Table Reader Comparison Tox Alert SkinSensitization Check if the flag from Enoch et al.is within the collection column, which contains all new flagsbased on the new SMARTS. This workflow compares results of the original paper with results based on revised SMARTS. Check if the flag from Enoch et al.is within the collection column, which contains all new flagsbased on the new SMARTS. top: valid moleculesbottom: erroneous moleculesTop: matching flagsBottom: flags based on the new SMARTS don't match the flag originally published Top: matching flagsBottom: flags based on the new SMARTS don't match the flag originally publishedTraining data setValidation data settop: valid moleculesbottom: erroneous moleculesTox Alert SkinSensitization Rule-basedRow Splitter Rule-basedRow Splitter Table Reader Table Reader Comparison Tox Alert SkinSensitization

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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Created by: alice.krebs
Created at: 2022-04-26
On NodePit since: 2022-10-18
Last update: 2024-04-26
Created with KNIME version: v4.6.3
Tags: Life Sciencesstructural alertskin sensitizationtoxicology

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