Speedy SMILES Explicit Chirality Splitter

This node removes rows which do not contain explicit chiral centres

This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com

Options

Select SMILES column
The SMILES column, containing molecules
Keep missing values
If checked, then rows containing missing values in the SMILES column are kept, otherwise they are removed
Keep Matches
If checked, then matches (i.e. Molecules with explicit chiral centres) will be kept, otherwise they will be discarded

Input Ports

Icon
Input Table containing a SMILES Column

Output Ports

Icon
Only rows with one or more explicit chiral centres
Icon
Rows without explicit chiral centres, and optionally missing values in the SMILES column

Views

This node has no views

Workflows

  • No workflows found

Further Links

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.