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rdkit_​mcs_​threshold_​problem

It works as expected It DOES NOT works asexpected as it doesn'tretrieve any MCSalthough the MCS coverthreshold is set to 0.5! It works as expected It gives an empty outputas 2 molecules havebeen added and noMCS covering all thecompounds (threshold =1.0) is found. This is asexpected. reading filefor R-group decompositiontestcalculate the MCSthreshold 0.5cast SMILESinput 2pyrrole derivativesconcatenateinput file & extra molscalculate the MCSthreshold 0.5parse smilesto rdkitparse smilesto rdkitcalculate the MCSthreshold 1.0calculate the MCSthreshold 1.0 CSV Reader RDKit MCS Molecule Type Cast Table Creator Concatenate RDKit MCS RDKit From Molecule RDKit From Molecule RDKit MCS RDKit MCS It works as expected It DOES NOT works asexpected as it doesn'tretrieve any MCSalthough the MCS coverthreshold is set to 0.5! It works as expected It gives an empty outputas 2 molecules havebeen added and noMCS covering all thecompounds (threshold =1.0) is found. This is asexpected. reading filefor R-group decompositiontestcalculate the MCSthreshold 0.5cast SMILESinput 2pyrrole derivativesconcatenateinput file & extra molscalculate the MCSthreshold 0.5parse smilesto rdkitparse smilesto rdkitcalculate the MCSthreshold 1.0calculate the MCSthreshold 1.0 CSV Reader RDKit MCS Molecule Type Cast Table Creator Concatenate RDKit MCS RDKit From Molecule RDKit From Molecule RDKit MCS RDKit MCS

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Created by: giovannicincilla
Created at: 2023-07-18
On NodePit since: 2023-07-18
Last update: 2024-12-22
Created with KNIME version: v4.7.3

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