NovaMechanicsChemoinformatics & Bioinformatics Solutions
Enalos KNIME Nodes

Enalos KNIME Nodes are now available by NovaMechanics Ltd

We are pleased to announce the release of the free Enalos KNIME Nodes.

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)
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)



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Applicability Domain (APD) based on the Euclidean distances
Applicability Domain (APD) based on the extent of extrapolation
Molecular Descriptors by Enalos Mold2
Quality of Fit and Predictive Ability of a continuous QSAR Model
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