Mnova ElViS – Electronic and Vibrational Spectroscopies

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Experts working with chemistry – from small molecules right up to macromolecules and from pure compounds through to complex mixtures – know that the analytical data acquired by the instruments is empty and meaningless without analysis and interpretation. It takes education, and then expertise developed over many years, to piece together all the clues from the analysis and interpret the data to really make it meaningful. However, with the growth in popularity of high throughput analyses as well as so-called Design-Make-Test-Analyze cycles producing huge volumes of data, scientists and experts are becoming overloaded with data processing and management tasks in which they spend most of their time! Luckily, advances in lab informatics tools and AI algorithms have reached a point where they can hugely and effectively help in automating data workflows to allow experts to focus on getting insights from the data and solving those really tricky problems. But when it comes to changing your lab processes and implementing new software tools, you may wonder what tasks you CAN automate, and what are those you SHOULD automate. In this article we explain the kind of analysis that can be automated with our automation engine Mnova Gears and give you some examples of workflow automations we have developed for our customers so you can let your ideas flow… You can and you should automate… While applications may differ from lab to lab, data workflows almost always involve similar tasks that can be easily delegated to an automation engine to carry out. These are usually: REPETITIVE tasks: such as data retrieval, opening, processing, reporting, archiving, etc. SIMPLE tasks: such as applying a formula to obtain a score, applying a layout template to a report, saving results in multiple formats and/or to multiple locations, etc. PREDICTABLE tasks: such as flagging discrepancies and/or suggesting actions based on pre-defined set of rules, comparing and validating data, etc. Now, let’s look at some of the workflows that we’ve helped to automate recently… Example 1: Real-time structure verification and compound registration workflow This automated workflow has been developed for a research lab at Genentech to verify molecular structures of newly synthetized compounds and register them to their internal database – in real time and with no human intervention. In their workflow, 1D/2D NMR and LCMS raw data from multiple instrument vendors are detected and paired with the expected chemical structure, processed, and analyzed, then compared with the proposed structure. The result of the comparison is delivered as a score that can be easily interpreted by the expert reviewer, and pasted into a report that is automatically generated and saved to the database. The detailed workflow is presented in this webinar. Example 2: Unattended quality control data analysis This QC automation solution has been implemented at Novartis, to control the quality of their DNA Encoded Libraries before release to the market. In this case, LCMS data from 96 or 384 well plates with DNA conjugates are collected from 2 LCMS-TOF spectrometers and batch processed by Mgears to calculate the purity and identify impurities. The analysis output is then... Read More

Bringing new drugs into the market is a long, complex process that often requires several years of investigation and considerable human, technological, and economic resources. In the labs of the Cancer Research UK Cancer Therapeutics Unit at The Institute of Cancer Research, London, a Fragment-Based Drug Discovery (FBDD) program has been established for screening and identifying lead compounds with potential therapeutic effects that may serve as starting points for the development of potent drug candidates… Read More

In this year’s customer satisfaction poll you rated our software 9.0 out of 10 in Net Promoter Score (NPS). Accordingly, we’d like to say a big thank you to all participants and also to thank you for your very constructive feedback. We are looking at your fresh ideas and already working to bring them to you in our upcoming software releases! One of the most interesting things is the ability to access files from most of the NMR machines.I’ve been using your products and interacting with your customer service for over 10 years. My experience has exceeded my expectations and therefore I would not use any other product.I still mostly use the old NMR interface but I’m getting more used to the new one. Please leave any further comments here? Read More

This is a call for Galician Talent working abroad wanting to come back home! Finding a good job in research can be challenging and can lead you far away from your home and loved ones. But WE want YOU back! At Mestrelab we offer competitive opportunities to work in innovative projects in a fun environment where you can grow on a professional and personal level. Many “galegos” already returned to join us. Read their testimonials below and check our career opportunities. Your return ticket may be some clicks away! Just when I had lost hope of returning to Galicia, Mestrelab appeared as the perfect solution. In addition to a very pleasant work environment and working conditions that have nothing to envy to those I had abroad, I can work in what I like the most, the R&D in signal processing and top-level applications for the chemical, pharmaceutical and biotechnology industries. Noa CamposSoftware Developer - Mestrelab Research I started to consider returning to Galicia, but my friends and family only had scary stories about poor salaries, bad managers and long hours. Mestrelab’s offer proved them all wrong and allowed me to come back to Santiago without losing purchasing power and with working conditions that felt tailor-made for me. Their great team, flat structure and cutting-edge work made it a perfect environment in which I learnt and grew professionally Lucia CastroManager - DIH DATAlife Working in research can be sometimes challenging. Even more when having a small kid and without possibility for him or my wife to relocate. I spent three months in Germany and one year in Portugal while my kid was growing up, I lost the count of kilometers I made only to be close to him and my wife, and then the opportunity came. Mestrelab offered the possibility to continue doing what I like the most, scientific software development, while being at home with my family, having an amazing work-life balance and working together with an incredible and high quality team. Jose Manuel AbuinSoftware Developer - Mestrelab Research After returning from Oxford, I had problems finding an exciting job with a decent salary and good working conditions. Mestrelab’s opportunity showed me that it is possible to have both while working in a nice and friendly environment. And the cakes are great!  🙂 Ivan SuarezSystem Admin - Mestrelab Research A very exciting workplace with a superb and top of the world team, cutting-edge work that gives you flexibility and professional development! Vanessa CastroRegulatory & Public Funding Manager - Mestrelab Research CHECK OUT OUR CAREERS PAGE Read More

Unleash the power of Mnova with this suite of products to complement the acquisition capabilities of your AvanceCore spectrometer! Enjoy this Software Combo free for one year! The combo includes the following Mnova products: NMR Verify NMRPredict Desktop qNMR AvanceCore License Form Avance Core License Form License Code First Name Last Name Company name ... Read More

Electronic data in the modern laboratory   Electronic data is the lifeblood of modern laboratories. Clearly, we need to extract information, answers, and knowledge from that data, but that is just a small part of the overall picture. Join our event to learn how data from many different instruments in different formats can be consumed by end users, not silo’d. How do we ensure results are valid and can be reproduced, or other information can be extracted from it? How do we interface with so many different instruments and data formats, and how do we ensure the outputs can be consumed by other knowledge management systems? And how do we do this in a way that satisfies the needs of end users, particularly the non-experts and system managers, rapidly, reliably and compliantly? In this talk we will discuss these and other issues and provide examples of these multiple needs can be met.   Please register here to reserve your place at this showcase: Electronic data in the modern laboratory – considerations for its optimal use summary:   Electronic data is the lifeblood of modern laboratories. Clearly, we need to extract information, answers, and knowledge from that data, but that is just a small part of the overall picture. Join our event to learn how data from many different instruments in different formats can be consumed by end users, not silo’d. If you have projects involving indexing and archiving of analytical data, you want to integrate your analytical instruments with web tools (eg. An ELN) or you want to automate the flow of data round an organisation then we would love to talk with you. SCHEDULE TIME WITH US HERE! Read More

Mnova for ALL: Are you a sponsor or a candidate?   These are the main program rules you should follow to participate in this initiative! Program Rules Mestrelab Research SL will match the Mnova Suite Combo (Mnova NMR, NMR Predict, MS and ElViS)from the sponsor by supplying the same license package to the sponsorship candidate. For example, if a sponsor purchases a campus license for up to 150 users, the sponsorship candidate will also receive a campus license for up to 150 users on the same date. In addition, the sponsored institution will receive a free 3-year Update & Support package which will be reviewed by Mestrelab Research SL at the end of this period with a view to potentially offering a further 3-year extension. If the license purchased by the sponsor is an annual license, the sponsored institution will receive the equivalent annual license. Sponsors can be industrial or commercial companies, educational and research institutions, or government institutions. The only requisite is the purchase of an Mnova Suite Combo license. Applications should be made jointly by email by the sponsor and the sponsorship candidate at the time of purchase of the software by the sponsor. Mestrelab Research SL will make any final decision regarding the sponsorship and communicate this to both parties. Donated licenses will be supplied within 72 hours of the sponsor’s purchase being processed. Mestrelab Research SL reserves the right to make public (on its website and in the media) the details of any sponsored license, as well as the names of the sponsored institutions for the purposes of promoting the sponsorship program and its results and accomplishments. Licenses are solely for the benefit of the nominated educational institution and cannot be transferred to any other organization, nor can they be taken or used by individual users once their relationship with the sponsored institution expires. Mestrelab Research SL’s decisions regarding sponsorship are final and will be made on the basis of the rules published above. This program applies to Mnova Suite Combo only. This includes Mnova NMR,  Mnova NMR Predict Desktop, Mnova MS and Mnova ElViS (Electronic and Vibrational Spectroscopies). The requisites to become a sponsored institution are: To be an educational institution or a non-profit research institution. To be located in one of the countries nominated by Mestrelab. (These countries have been chosen on the basis of their nominal GDP per capita, according to the IMF list.) To make the application jointly with a sponsor. To supply all details requested by Mestrelab(Contact details and data about all users of the program for single and multiple user license packages). BACK to Mnova for ALL - Fill in the form Read More