Automatic confirmation of structure identity based on NMR and/or LC/GC/MS data.
Automated structure verification is becoming more widely used to quickly reject incorrect structures prior to submission to company compound repositories and biological assays.
Licenses ofÂ Mnova NMR and NMRPredict are required to use Mnova Verify.
Automatic atom to peak assignments
Verify: 45-day free trial version
Â 1. Download
Verify is aÂ pluginÂ integrated inÂ Mnova. NoÂ extra installer is required.
Â 2. Installation
Open Mnova and go toÂ ‘Help/Get-Install Licenses’. Select ‘Evaluate’.
Â 3. License
Fill in the form to receive your trial license via e-mail.
Help & Resources
Automatic handling of datasets to generate reports with minimum interaction!
Ask Mnova if your compound matches the desired structure!
Powerful algorithmia running behind the scenes
It consists of several working modules that interact to offer you the final result:
- FullÂ automated processing and analysis of 1D&2D NMR experimental data. (1H NMR, HSQC).
- Full automated processing and analysis of LC/GC/MS experimental data (if available).
- Generation of theoretical data for the proposed structures.
- 1H, 13C and HSQC spectra prediction (Mnova NMRPredict).
- Mass ion, isotopic cluster, fragmentation and MS/MS prediction.
- ComparisonÂ between experimental and theoretical data.
- Presentation/reporting of results using a novel scoring system.
An easy and flexible scoring system
It evaluates analytical data, making a compatibility judgment ofÂ theÂ proposed structure. The output consists of:
- A summary for each proposed structure which shows a quality score that ranges from -1.0 to +1.0. This is the combination of the score and the significance.
- A detailed result for each of tests that the software has applied.
Then the system willÂ rankÂ the proposed structures and tell you quickly which one fits better with theÂ experimental data.
If your results are unclear, you can easily re-work them in Mnova.
Automated batch & real-time modes
It providesÂ QA for large volumes of dataÂ such as libraries or samples for registration QC.
TheÂ Batch modeÂ uses the Mnova scripting engine for theÂ verification of libraries, identifies samples that are not appropriate for assay submission.Â An html report isÂ generated once you are happy with the results.
TheÂ real-time analysis (listener) modeÂ is a fully unassisted verification analysisÂ and report of your datasets as soon as they are acquired and found in a predefinedÂ location folder.
Both, batch and real-time automated modes require Mnova v.10 or higher. (NMR, NMRPredict and/or MS modules). Other modules such as Mnova DB or qNMR can be also used in these modes.
Academic, Government & Industrial
- Pharmaceutical, chemical and food industries, research and QC environments
- Process chemistry
- Pharmaceutical compound libraries
- Suitable for individual users, research groups as well as large institutions and companies