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20230201 Pikairos STERAC1(reset)

Your DataKeep onlyAtom PairsSplit everySDF MOL by linesUngroup Listinto separate rowsfor a same MoleculeDetect Rowwith"M V30 MDLV30/STERAC1 ATOMS="information Keep only rowswith "M V30 MDLV30/STERAC1 ATOMS="informationand row before"M V30 MDLV30/STEABS ATOMS*"Join Processedinformationwith originalUngrouped MOLSKeep onlyrequired columnsat this stage:IDSTERAC1_ATOMAtom_PairsCheck Whetherthe row is LIKEthe previous PatternBuild a Stringto Recognize"*CFG=1"PatternRemove "CFG=1"Pattern if RequiredKeep current Rowif not ConcernedOtherwise UseNewly Created Row without"CFG=1" PatternKeep onlyrequired columnsat this stage:MoleculeIDStereoCollResultGroup the resultingRows to buildthe correctedSDF MOLCast the NewlyCreated SDF MOLas SDF typeShow SDF Modificationsin Excel FormatLag by -1 rowto have previous Row Informationand check for STEABS patternCheck Whetherthe row is LIKEthe previous PatternSplit everySDF MOL by linesCast the NewlyCreated SDF MOLas SDF typeGroup the resultingRows to buildthe correctedSDF MOLBuild a Stringto Recognize"*CFG=1"PatternRemove "CFG=1"Pattern if RequiredLag by -1 rowto have previous Row Informationand check for STEABS patternKeep onlyrequired columnsat this stage:MoleculeIDStereoCollResultDetect Rowwith"M V30 MDLV30/STERAC1 ATOMS="information Keep onlyrequired columnsat this stage:IDSTERAC1_ATOMAtom_PairsKeep only rowswith "M V30 MDLV30/STERAC1 ATOMS="informationand row before"M V30 MDLV30/STEABS ATOMS*"Join Processedinformationwith originalUngrouped MOLSKeep current Rowif not ConcernedOtherwise UseNewly Created Row without"CFG=1" PatternKeep onlyAtom PairsUngroup Listinto separate rowsfor a same Molecule New Versionto be Completed The right RegexNode 37 To be replacedby your previousWorkflow toIntegrate the Numberof AtomSDF Reader String Manipulation Cell Splitter Ungroup Rule Engine Rule-basedRow Filter Joiner Column Filter Rule Engine String Manipulation String Manipulation Rule Engine Column Filter GroupBy Molecule Type Cast Excel Writer Moving Aggregation Rule Engine Cell Splitter Molecule Type Cast GroupBy String Manipulation String Manipulation Moving Aggregation Column Filter Rule Engine Column Filter Rule-basedRow Filter Joiner Rule Engine String Manipulation Ungroup Variable Creator String Manipulation Row Filter Variable Creator Your DataKeep onlyAtom PairsSplit everySDF MOL by linesUngroup Listinto separate rowsfor a same MoleculeDetect Rowwith"M V30 MDLV30/STERAC1 ATOMS="information Keep only rowswith "M V30 MDLV30/STERAC1 ATOMS="informationand row before"M V30 MDLV30/STEABS ATOMS*"Join Processedinformationwith originalUngrouped MOLSKeep onlyrequired columnsat this stage:IDSTERAC1_ATOMAtom_PairsCheck Whetherthe row is LIKEthe previous PatternBuild a Stringto Recognize"*CFG=1"PatternRemove "CFG=1"Pattern if RequiredKeep current Rowif not ConcernedOtherwise UseNewly Created Row without"CFG=1" PatternKeep onlyrequired columnsat this stage:MoleculeIDStereoCollResultGroup the resultingRows to buildthe correctedSDF MOLCast the NewlyCreated SDF MOLas SDF typeShow SDF Modificationsin Excel FormatLag by -1 rowto have previous Row Informationand check for STEABS patternCheck Whetherthe row is LIKEthe previous PatternSplit everySDF MOL by linesCast the NewlyCreated SDF MOLas SDF typeGroup the resultingRows to buildthe correctedSDF MOLBuild a Stringto Recognize"*CFG=1"PatternRemove "CFG=1"Pattern if RequiredLag by -1 rowto have previous Row Informationand check for STEABS patternKeep onlyrequired columnsat this stage:MoleculeIDStereoCollResultDetect Rowwith"M V30 MDLV30/STERAC1 ATOMS="information Keep onlyrequired columnsat this stage:IDSTERAC1_ATOMAtom_PairsKeep only rowswith "M V30 MDLV30/STERAC1 ATOMS="informationand row before"M V30 MDLV30/STEABS ATOMS*"Join Processedinformationwith originalUngrouped MOLSKeep current Rowif not ConcernedOtherwise UseNewly Created Row without"CFG=1" PatternKeep onlyAtom PairsUngroup Listinto separate rowsfor a same Molecule New Versionto be Completed The right RegexNode 37 To be replacedby your previousWorkflow toIntegrate the Numberof AtomSDF Reader String Manipulation Cell Splitter Ungroup Rule Engine Rule-basedRow Filter Joiner Column Filter Rule Engine String Manipulation String Manipulation Rule Engine Column Filter GroupBy Molecule Type Cast Excel Writer Moving Aggregation Rule Engine Cell Splitter Molecule Type Cast GroupBy String Manipulation String Manipulation Moving Aggregation Column Filter Rule Engine Column Filter Rule-basedRow Filter Joiner Rule Engine String Manipulation Ungroup Variable Creator String Manipulation Row Filter Variable Creator

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Created by: Molina
Created at: 2023-01-31
On NodePit since: 2023-02-03
Last update: 2024-11-23
Created with KNIME version: v4.5.2

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