Structural Elucidation – The Cryptic Crossword of the Analytical World

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. Read more →


Thinking outside the box with metabolic musings: A prequel to ASMS 2017

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! Read more →


LabTube Takes a Look at Luminata during PITTCON 2017

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. Read more →


Introducing, Version 2016.1!

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. Read more →


Gearing up for SMASH 2016: Reassessing the Value of Computer Assisted Structure Elucidation

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. Read more →


The Quest for the Successful Paperless Lab: Can We Overcome the Challenges?

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. Read more →


All About Metabolites for ASMS 2016

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. Read more →


5 Predictions on the Future of R&D

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. Read more →


Under the Sea: Taking the Search for Novel Antibiotics to New Depths

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. Read more →