0 ×

Convert Table to FingerPrint

Schrödinger extension for KNIME Workbench version 20.3.139.202008121324 by Schrödinger

This node inputs a table, which consists of a molecule name and a n-by-m matrix of double precision numbers, where n is the number of molecules, and m is the number of descriptors/bits. The output is a binary cell which can be used in other Canvas tools.

Backend implementation

utilities/canvasCSV2FPBinary
canvasCSV2FPBinary is used to implement this node.

Options

Title source (Column or RowID)
Select the molecule names source, either RowID or the column

Input Ports

Icon
A table with a molecule title column and N numerical columns, where N is the number of molecules/rows in the table

Output Ports

Icon
FingerPrints in Canvas Binary format

Views

Std output/error of Convert Table to FingerPrints
Std output/error of Convert Table to FingerPrints

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

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

KNIME 4.2
Wait a sec! You want to explore and install nodes even faster? We highly recommend our NodePit for KNIME extension for your KNIME Analytics Platform.

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.