Schrödinger extension for KNIME Workbench version 126.96.36.199011110821 by Schrödinger
Predict the dependent variable Y for a set of structures using a previously built PLS regression model and the required independent X variables. Ensure the independent variables used to build the model are included in the second input table for each structure. If the column "#PLS Factors" is included in the first input table, the predicted values for each factor will only be included if that factor number has been specified. If this column is not found, all sets of predicted values will be given.
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