The node allows for row splitting according to certain criteria. It can include or exclude: certain ranges (by row number), rows …

Takes an input containing an activity (experimental/true) and multiple (or one) prediction columns. For multi class classificatio…

Takes an input containing an activity (experimental/true) and multiple (or one) prediction columns. For multi class classificatio…

Calculates various performance measures (detailed below) on the input table. This node also takes a column to bin the values on, …

Performs a very simple discretisation based on the value falling below a set value. If the boundary is set to 2 all values in the…

Appends the columns from table 2 to table 1. Checks to make sure the tables have the same number of columns but they must already…

This node allows the option to return null during the node configuration. This may be of benefit when using loops, during each it…

Converts a RInChI (reaction InChI) into a reaction interchange format. Currently supports MDL RXN and RDF formats.

Perform Atom-Atom Mapping (AAM) using the Reaction Decoder Tool from the EBI. This node is based on the CDK version bundled withi…

This node removes empty rows from the input table. An empty row can be defined as: a row that has only missing cells or a row tha…

Returns an additional column with the values: true positive, true negative, false positive, false negative for a binary classific…

In 2011, the first prototype of RInChI was introduced as version 0.02 based on Python programming (Grethe, Goodman, Allen, 2013).…

This node will run an encapsulated SMARTCyp 2.4.2 jar. The results generated should be the same as those generated by the web ser…

This node will run an encapsulated SMARTCyp 2.4.2 jar. The results generated should be the same as those generated by the web ser…

Writes the content of a given StringValue to a file. Choose a StringValue implementing column and a filename column (filename sho…

KNIME is able to render HTML in the String renderer. Converts the input table into an a single HTML String which can then be rend…

KNIME is able to render HTML in the String renderer. Converts the input table into an a single HTML String which can then be rend…

Predicts binding to Cyp isophorms: 1A2, 2C9, 2C19, 2D6 and 3A4. Interpretation of predictions taken from WhichCyp details Binder{…

Read a SAS XPORT (XPT) encoded file as per the specification . This node is currently released as a beta.