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MolScreen

Molsoft Nodes for KNIME Workbench version 1.0.1.0099 by Molsoft LLC

MolScreen is a set of high quality 2D fingerprint and 3D pharmacophore models for a broad range of pharmacology and toxicology targets. The models can be used for lead discovery or counter screening. The models use MolSoft's 2D QSAR/Fingerprint and 3D Atomic Property Fields

Options

Binary Output
Check this option if you plan to connect the node to MolView node
Model Type
Select 2D or Apf model type
Filter
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Model List
Select one or more models to apply to the input molecules

Input Ports

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Input molecules

Output Ports

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No description for this port available.

Views

name of first view
Description of first view...

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Molsoft Knime Nodes from the following update site:

KNIME 4.3

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Developers

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