Enalos Suite consists of a simple and user-friendly interface that gives access to Chemical Databases (PubChem, UniChem etc.) and helps the user to obtain information for thousands of compounds with one request. It is also possible to expand its functionalities by integrating custom-made predictive models.

The user can insert one or several chemical structures of compounds:

• by drawing the chemical structure of interest using the drawing tool
• by entering their SMILES notation
• by importing an .sdf file

The user can execute several workflows simultaneously and inspect the results, which are exported as .xls files.

The industrial users requesting to perform confidential calculations, Enalos Suite provides the ideal interface. Enalos Suite can package any KNIME workflow in a completely custom made, platform independent, standalone software.

Enalos Suite functions

• Searching Chemical Databases
• Patent Searching in Chemical Databases
• Calculation of Molecular Descriptors
• Predictive Modelling
• Novelty Checking

NovaMechanics Ltd has significant experience in the development of applications to enable labs and industrial companies to easily launch modelling, data analysis and simulation tasks on flexible computing resources, in order to lower the barriers to entry to complex scientific calculations. Through Enalos Suite the in house in silico workflows can be made available online through web services with the purpose to make NovaMechanics’ predictive models available to the interested user wishing to generate evidence on potential effects in a decision making framework.