Enterprise Solutions

Handle large volumes of internal and third party data, in full automation

Enterprise Solutions are automation solutions which allow companies to process and analyse unlimited amounts of data in full automation. They can be automatically run on large data libraries to generate analysis results.


Enterprise Solutions

Volumes of analytical data

Handle large volumes of data, both internal and generated by third parties, in full automation

Nowadays, companies have to handle very large volumes of analytical data. Regulatory and practical requirements mean that analytical data is generated for all compounds which enter the company’s processes. Often, these data need to be reviewed, but there may not be the resource to do it. Quite often, data is not reviewed for this reason, resulting in incorrect identification or concentrated compounds being stored, or even used, at the company.

Mestrelab Enterprise Automation Solutions allow companies to run analysis or processing in batch mode, on any volume of analytical data. This can ensure that all data, for all compounds, however critical to the process, undergo the necessary processing and review.

Enterprise Automation Solutions can be used for many different applications. For example, you may run a structure verification or a concentration calculation on all data for all compounds held at the company, either as a batch job with a set frequency, or as part of an automation process. An Enterprise Automation Solution could allow you, for example, to check the structure or the concentration of all your internally generated compounds over the last 3 years, to check the data provided by your CROs in batch mode, and to confirm the structure and concentration of that new screening library you just purchased for your Fragment Based Drug Discovery.

Real Time Solutions


Batch Structure Verification

You can use Mnova to process all NMR and MS data in your data libraries, checking that it matches the proposed structures. You can do this with the data for the compounds that your chemists synthesize every day, and also for all the compounds that you buy in (screening libraries, building blocks, custom synthesis, etc.).

Who is doing this?

Batch Databasing

You have been acquiring analytical data for years on all your compounds. Mnova now offers a Spectral DB plugin which can allow your scientists to share analytical knowledge and to benefit from all the analyses and characterisations carried out by others. The Mnova Database Enterprise Automation Solution allows you to automatically and without user intervention process all legacy data, apply specific processing and analysis routines and store it in the Spectral DB, so that the information is available for your users to be searched.

Who is doing this?

Batch concentration

This solution allows you to measure the concentration of the samples in your storage by NMR or MS. Many of the compounds in your compound library may have degraded or precipitated, or the concentration may have been incorrect from the start. With this solution, you can run 1H quantitative NMR, or run LCMS on your compound libraries, and use Mnova Enterprise Solution to automatically check the concentration of all your compounds.

Who is doing this?

Frequently Asked Questions


It is very simple. You can set up your Enterprise Automation Solution by  using the simple wizards they come with. Choose your data folders, what you want the analysis to do, how do you want reports to be laid out and what output to generate (.mnova, .pdf, etc.). Once you have set your options up, you click ‘Go’ and the process will run, and do the job you have set up, on all the data in the chosen folders and subfolders.

There is a simple wizard to do so. Just follow the Wizard tabs to set file folders, analysis to be done, and nature and location of results. You can run the Enterprise Automation Solution on any computer in your network which has access to the data folders you want to process.

You can generate any output Mnova supports. Mnova files, PDF, any type of image files, plus other specialist formats such as MOL or SDF for structures.

Enterprise Automation Solutions are licensed on annual subscriptions, with Multi-year packages available, and are licensed based on the number of users benefitting from the data generated by the analysis. Most commonly, for analysis done for a chemistry department, we base licensing on the number of chemists in the department, or at least the number of chemists actively using data/consuming analysis results. Contact our sales department, sales@mestrelab.com, to have a discussion with one of our Solutions Experts, who will discuss your specific need and set up and suggest the ideal solution.

This grows all the time, and all functionality available in Mnova can in principle be automated. Right now, we have Enterprise Automation Solutions for Processing, Databasing, Structure Verification, qNMR, MS analysis and reporting, and we are working on solutions for Multitechnique Quantification, Saving to ELN, etc.

Enterprise Solutions

Ask our team about this solution