This category is currently not available in KNIME v5.4 — instead we’re showing this page for KNIME v4.5. You can use the version menu in the title bar to permanently switch your preferred version. This will also show the link to the update site.
Molsoft
This category contains 16 nodes.
MolRIDE
Molsoft Rapid Isostere Discovery Engine (RIDE) node
MolScreen
MolScreen is a set of models for a broad range of pharmacology and toxicology targets.
MolStandardize
Removes salts, excplicitly drawn hydrogen, standardize chemical groups drawing, apply 2D decpition and assign formal charges using pKa model.
MolUnique
Removes duplicates from the input set of molecules
MolView
Shows molecules as 2D chemical spreadsheet. View docking hitlist.