Enalos KNIME Nodes (Community Contributions) 

Enalos KNIME Nodes are now available by NovaMechanics Ltd

We are pleased to announce the release of Enalos KNIME Nodes (under Community Contributions).

The Enalos family nodes contain:

1. Applicability Domain (APD) based on the Euclidean distances (more info)
2. Applicability Domain  based on the Leverages (more info)
3. Molecular Descriptors Calculation by Enalos Mold2 node (more info)
4. Quality of Fit and Predictive Ability of a continuous QSAR Model (more info)


For inquires or feedback about the Enalos Nodes please contact us: knime [at] novamechanics [dot] com

Relevant Publications:

Melagraki*, G., Afantitis*, A. “Enalos KNIME nodes: Exploring corrosion inhibition of steel in acidic medium” (2013) Chemometrics and Intelligent Laboratory Systems, 123, pp. 9-14. (link)

Georgia Melagraki*, Antreas Afantitis*, Enalos InSilicoNano Platform: An online decision support tool for the design and virtual screening of nanoparticles  RSC Advances 2014, 4, 50713-50725 2014 (link)

Melagraki Georgia*; Afantitis Antreas* A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through Enalos InSilicoNano Platform Current Topics in Medicinal Chemistry, Volume 15, Number 18, September 2015, pp. 1827-1836(10) 2015 (link)

E. Vrontaki, G. Melagraki*, T. Mavromoustakos, A. Afantitis*. Searching for Anthranilic Αcid-Βased Thumb Pocket 2 HCV NS5B Polymerase Inhibitors through a Combination of Molecular Docking, 3D-QSAR and Virtual Screening Journal of Enzyme Inhibition and Medicinal Chemistry DOI:10.3109/14756366.2014.1003925 (link)