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SPECTROSCOPY 53


Software solutions handle data from different vendors


Growing end-user demand for interface simplicity and seamless deployment is driving software solutions that can handle data from many different spectroscopy techniques. Sean Ottewell reports.


La demande croissante de l’utilisateur final en interfaces simples et pour un développement homogène encourage les solutions logicielles qui peuvent gérer les données à partir de nombreuses techniques spectroscopiques différentes. Sean Ottewell fait son compte-rendu.


Die steigende Nachfrage von Endverbrauchern nach einfachen Schnittstellen und nahtloser Entwicklung kurbelt Software-Lösungen an, die Daten von vielen unterschiedlichen Spektroskopietechniken verwerten können. Sean Ottewell berichtet.


A


s laboratories strive to reduce costs and boost efficiency, the focus is


turning to software solutions that can interpret results from different vendors.


For example, the latest launch from cheminformatics specialist Advanced Chemistry Development (ACD/Labs) is a web-enabled portal to extend its ACD/Spectrus analytical and chemical intelligence platform.


Te portal is being launched through a series a domain- specific market applications. Te first, ACD/Labs’ Open Access solution, is targeted towards delivering streamlined results to open access or walk-up laboratory environments.


The new portal delivers streamlined software solutions.


Open Access combines the web- enabled ACD/Spectrus Portal with its established automation technology and workflow


components. Sophisticated data processing and analysis algorithms deliver interpreted NMR and LC/MS results from a variety of different instrument vendors in what the company says is the industry’s first web- based NMR and LC/UV/MS review panel. Chemists rely on this information to determine the identity and purity of their samples and to make quick decisions about the fate of their reactions.


ACD/Labs already counts companies such as Hoffmann- LaRoche, Bayer Crop Science, GSK, and AstraZeneca as users of its spectroscopy processing and prediction tools. However, the demand for one software application to cover many technologies has driven the latest development.


David Hardy, MS product manager, explains: “With increased usage, we met many demands for better interpretation tools, specifically around LC/ UV/MS data. We have always focused on leveraging our chemically intelligent algorithms to deliver answers instead of just data. Providing these answers via a browser-based interface, with the ACD/Spectrus Portal, was the logical next place to go.”


Vendor-neutral solution Te company is keen to help analytical laboratories to become more agile in their instrument selection and retention processes. Its vendor-neutral solution means that users can reduce the costs of running sets of different instruments, software support and training. Te idea here is to free up scientific organisations to choose the instrumentation that works best for their needs, and to


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