2-reagents - Step #1 - Multiprocessing

This node is the multiprocessing alternative of the "2-reagents - Step #1" node.

This node produces the enumeration of compounds Ab/aB by the combination of reagents A/B with the defined representatives reagents a/b.

As inputs tables, you need to provide:

  • The reagents A table, with the Smiles, ID, and the Representative column obtained with either the "Smallest", "By ID", or "Custom" representative nodes.
  • The reagents B table, with the Smiles, ID, and the Representative column obtained with either the "Smallest", "By ID", or "Custom" representative nodes.

The node will generate a new table with all the compounds enumerated. For this specific node, compounds Ab and aB will be generated. The selection of these best compounds is determined by the method(s) of your choice. The next step will include the "2-reagents - Step #2" node, as well as the "Chosen compounds from previous step" node.

Options

Reaction

Reaction SMARTS string

Number of CPUs

Number of CPUs

Split into groups of X compounds

Split into groups of X compounds

Input Ports

Icon

Reagents A

Icon

Reagents B

Output Ports

Icon

Table of enumerated Ab/aB compounds.

Popular Predecessors

  • No recommendations found

Popular Successors

  • No recommendations found

Views

This node has no views

Workflows

  • No workflows found

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.