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)
5. EnalosDeNovo: generates automatically all possible given substitutions of a lead compound
For inquires or feedback about the Enalos Nodes please contact us: knime [at] novamechanics [dot] com
Just published: 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)