PANACEA NMR - Mestrelab Research S.L. (Santiago de Compostela, ES)

Description

Mestrelab Research SL is a Spanish software house specialised in the development of Chemistry Software Solutions, with particular emphasis in analytical data and in chemistry information storage and management. Our company has an extensive footprint in the pharmaceutical, biotechnology, chemical and other related businesses, with over 130,000 individual chemists and 3,000 institutions using our software solutions.As an organisation, we are fully committed to the computer modelling of science and to help the research community use the opportunities offered by digitalisation to enhance productivity and efficiency, and deliver faster results in R&D. We strongly support the information exchange between academic research groups and our staff via hiring research services to university groups, supporting centres for doctoral training and hosting students in our premises regularly. Mestrelab flagship product, Mnova - in the market for 15 years - is a standard in the processing, analysis and visualization of complex NMR data. Other products of relevance to this project are our Electronic Laboratory Notebook, Mbook, a cloud-based tool that will help connect researchers on the project, facilitating information exchange. Mestrelab's spectral database (Mnova DB) and our automation tools (Mnova Gears) will complement the efforts to spread the knowledge on ssNMR data. In addition to software development, our R&D team, in collaboration with external partners, have been very active on the use of NMR spectroscopy in the liquid state for investigating small organic molecules. To that effect, we have developed new NMR experiments (pulse sequences) and developed signal processing algorithms, quantum mechanics simulations and fast NMR predictors based on Machine Learning techniques. Also, we lead all efforts related to data processing and post-analysis, in charge of broadening our range of advanced algorithmia and Machine Learning techniques, including PLS, PCA, Random Forests and Gradient Boosting.

Access to Mestrelab website here