Partitioning (logP or logD)—are you using/measuring the right descriptor?

In my past life, before ACD/Labs, I was an organic/medicinal chemist. I share this because it’s relevant to the topic. My first responsibility at ACD/Labs was to create materials to support our PhysChem product line. Many of the descriptors that made up the products I was charged with talking about—such as pKa, solubility, etc.—were first introduced to me by Mr. Jackson, my chemistry teacher in secondary school (high school). The others I learned about during my BSc and PhD—logP (from Lipinski’s rule-of-5), for example. I will confess, however, that when I was asked in my interview how I applied/considered logD values in my research I was completely stumped. What’s logD? I’d never heard of it! 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 →


Analytica 2016 Round Up

As the Analytica Trade Fair in Munich came to a close in April, I realized that I had witnessed a tradeshow unlike many others in our industry today. It is probably the largest meeting I’ve participated in with 35,000 visitors and 1,244 exhibitors from 40 countries. The exhibition space spanned five halls in which any and every type of organization linked with laboratory research was represented. Analytica seems to have withstood shrinking travel budgets, mergers and acquisitions, and challenges that have hit the tradeshow circuit In fact, this year’s venue was so large I wish I had taken my trainers (sneakers) to traverse the exhibition space. 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 →


Shipping Off to Boston for Bio-IT World 2016

ACD/Labs is headed to Boston for the annual Bio-IT World Conference & Expo held at the Seaport World Trade Center from April 5th-7th. Over 3,000 life sciences, IT, and pharmaceutical professionals will gather in Beantown to discuss the emerging technologies and research that is transforming the industry. As the newest member of the team, rejoining ACD/Labs as Vice President of Business Development in December 2015, I’m ecstatic to be at this year’s conference alongside my colleagues Sanji Bhal, Graham McGibbon and Larry Brescio. Read more to find out what I’ll be up to at the show and where you can find the ACD/Labs team. Read more →


Looking back at PANIC, and forward to ENC

This is always an exciting time of year in the NMR community. The early part of the year usually offers a few “quiet moments” to work on projects that have not been receiving enough attention. However, quite quickly we enter into the conference season, with PANIC, PITTCON, ACS, and ENC in short order. These meetings are an excellent opportunity to connect with new science, reconnect with old colleagues, and meet some new faces. Read more →


Survey Says…Analytical Data Management is Still a PAIN

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. Read more →