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**SchrÃ¶dinger extension for KNIME Workbench** version **20.3.139.202008121324** by **SchrÃ¶dinger**

Multi-dimension scaling driver program

canvasMDS is used to implement this node.

- Column containing binary matrix input
- Choose the input column that has the binary matrix input
- Use binary matrix input
- This option is enabled only if there exists a binary matrix in the input table. If checked, the binary matrix is used as input. Otherwise, the input that is used is the entire input table, which has the molecule names in the first column and numerical data columns that make up a symmetric distance matrix.
- Include Molecule
- Whether the molecule should be included in the output
- Include Input
- Whether all columns in the input should be included in the output
- Scaling Method
- Scaling method. Valid choices are: "covariance", "correlation" and "distanceMatrix".
- Number of Dimensions
- Number of dimensions to use.

- The input should include a molecule (Maestro or SD) and numerical data columns that make up a symmetric distance matrix or a canvas binary matrix

- The output includes the multi-dimensional scaling information computed plus the input, if specified (i.e., the molecule or all columns)

- Std output/error of Multi-dimension Scaling
- Std output/error of Multi-dimension Scaling

- Number To String (50 %) Streamable
- Setup Diagnosis (13 %)
- Convert Table to Matrix (13 %)
- Strings to Binary Objects (13 %)
- Database Reader (legacy) (13 %)

- Bayes Classification Model Building (25 %)
- Table Writer (25 %)
- Partitioning (25 %)
- Scatter Plot (local) (25 %)

To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:

KNIME 4.2

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