Enalos Nodes for KNIME

Enalos

Free Enalos KNIME Nodes are now available by NovaMechanics Ltd. We are pleased to announce the release of the free Enalos KNIME Nodes.

About the 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. Quality of Fit and Predictive Ability of a continuous QSAR Model (more info)
  4. Molecular Descriptors Calculation by Enalos Mold2 node (more info)
  5. EnalosDeNovo: generates automatically all possible given substitutions of a lead compound (coming soon)

Just published in RSC Advances  Enalos InSilicoNano platform: an online decision support tool for the design and virtual screening of nanoparticles RSC Adv., 2014,4, 50713-50725 http://pubs.rsc.org/en/content/articlelanding/2014/ra/c4ra07756c#!divAbstract

Enalos Nodes are chemoinformatics tools developed by NovaMechanics Ltd. Novamechanics Ltd is an in silico drug design company committed to the computer aided design of small molecule medicines for a very wide range of target classes. The company is focused on the development and implementation of in silico methods to guide decisions in the design and selection of promising drug candidates. Through the combination of industry-recognized expertise, state of the art software and proprietary computing infrastructure, the company's  advanced in silico capabilities in molecular design and simulation provide the most effective path to drug innovation. Our mission is to help to bridge the gap between disease targets and optimal quality drug candidates with significantly lower costs and increased potential revenues for our collaborators.

Source Code

The source code can be accessed at https://anonymous:knime@community.knime.org/svn/nodes4knime/trunk/com.novamechanics/trunk/com.novamechanics.

License

Enalos nodes are released under the Enalos KNIME Nodes GPL.