111 commits | Last commit ≈ 42 months ago
A plugin for the KNIME workflow system that adds a Pharmacophore data type and nodes to read, write, and align them.
A pharmacophore is an abstract description of molecular features that are necessary for molecular recognition of a ligand by a biological macromolecule. This plugin for the KNIME workflow system adds the Pharmacophore (Phar) data type to KNIME, and adds nodes to read, write, and manipulate pharmacophores inside KNIME. It includes the KNIME Silicos-it, Kripo pharmacophore retrieval and molviewer pharmacophore viewer nodes.
Efficient exploitation of the massive amount of modern-day life science data