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PLS Prediction

SchrödingerCheminformaticsModeling
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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.

Backend implementation

utilities/canvasPLS
canvasPLS is used to implement this node.

Node details

Input ports
  1. Type: Table
    PLS Model
    Canvas PLS Model
  2. Type: Table
    Data set
    Data set to predict
Output ports
  1. Type: Table
    Predicted Y values
    Predicted Y values

Extension

The PLS Prediction node is part of this extension:

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Related workflows & nodes

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  2. Go to item
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