Structural Elucidations of NMR spectra, whether combined with other analytical techniques, or on their own, are akin to the challenges of the most complex cryptic crosswords—maybe the kind you find in the weekend editions of The Guardian, or The Times—but much, much tougher with some clues sometimes missing. At least that’s why I believe some of our internal experts and application scientists like the challenges of solving these “puzzles” on a regular basis.
The fascinating world of metabolite identification is something I’ve been learning a lot about recently. The process of drug discovery to drug development to meeting regulations, and the complicated (often manual) workflow. My informant is colleague, Richard Lee. An easy-going and friendly guy with a vast resource of information ranging from metabolite research to cheesy chick flicks (don’t tell him I shared the latter). Read on to learn more about his research and what we'll be discussing at ASMS 2017 this week!
PITTCON 2017 was a particularly big event for the ACD/Labs team this year because we were focused on the launch of Luminata, our new informatics solution for comprehensive impurity and characterization management. The five days we spent in Chicago were the culmination of months of hard work across the entire organization, and I’m pleased to say that the launch went off without a hitch. I had the opportunity to meet with the folks at LabTube to talk about ACD/Labs and our vision for Luminata. Watch the video in our post.
Last week, we announced updates across our suite of informatics software! These improvements deliver enhanced functionality to a number of offerings on the ACD/Spectrus and ACD/Percepta Platforms. The updates also includes the introduction of our all-new metabolite identification solution, MetaSense.
We’ve been doing a lot of thinking about the value of Computer Assisted Structure Elucidation (CASE) around here lately. There’s a good reason for that: we’ve been doing a lot of work on CASE for the last 18 years, and the work is only accelerating. So it’s worthwhile to reassess every now and then. Much goes into improving software like this to take on ever-more complex tasks, and to do those tasks ever more effectively.
There is widespread agreement that going digital will help us manage data better, make us more productive, more innovative and ultimately enable us to make smarter decisions—all the way from the bench to the boardroom. Yet, we remain relatively early in the transition from paper to paperless lab, despite the need for organizations to become more innovative and more competitive.
Join us at ASMS 2016 where we announce the launch of a new solution related to metabolite identification that I’m personally very excited about sharing with the scientific community. In addition to the launch of our new product, ACD/Labs will be exhibiting at booth #701, participating in a presentation, and hosting a seminar.
The R&D industry has been evolving for decades to make the process of discovering new compounds and formulations in the laboratory easier and more effective. Today, innovative trends, focused predominantly around data and technology, encourage changes that aim to improve efficiencies across the industry. A couple of current trends we’re observing include open innovation (or externalization), as well as big data.
With the help of ACD/Labs’ software, PharmaSea researchers have dereplicated more than 300 extracts, and, as a result, have identified 10 novel compounds that merit further research. Prof. Marcel Jaspars, head of the Marine Biodiscovery Centre at the University of Aberdeen, and project leader of PharmaSea, discusses the PharmaSea project in detail here.
At ACD/Labs, we have spent two decades working with customer organizations to support effective analytical data management. While we are privy to the problems of our customers, we wondered how the wider R&D community has been addressing analytical data management and what challenges remained. With that in mind, we decided to conduct a survey last year to gather feedback from scientists (62% of survey respondents), managers, directors, and executives (26%), as well as IT and other professionals (12%) to better understand the R&D landscape.