Data integrity has become an industry buzzword, but do people really understand what it means? A recent survey we conducted with Chemistry & Engineering News (CE&N) showed that scientists think about data integrity differently. Read on to learn more about our survey and the results we found.
It’s that time of year again – The air is crisp and the leaves are changing colors. It’s also that time of year when we unveil the latest versions of our Spectrus and Percepta Platforms. We are particularly excited about the improvements we’ve made this year to V.2018.1 since many of them are the result of customer feedback. Our goal is to foster innovation by providing our customers with practical, straightforward tools that will simplify workflows and ensure accurate data analysis, and we hope to better achieve this by considering your opinions.
Last week I attended the annual small molecule NMR conference, SMASH, in Philadelphia, PA. It’s been an exciting year attending NMR meetings as an exhibitor with ACD/Labs and SMASH is my final stop for 2018. From opening with workshops and user meetings to its final symposium, SMASH was a huge success. Let’s take a look back at the most memorable events from last week in pictures.
As the number of conversations we’re having with scientists in validated environments increases year over year, we have found that a number of common misconceptions exist. Many arise because previous deployments of software accompanied the installation of new hardware, or have involved informatics systems that are intimately integrated across the development workflow and are the source of data and reports submitted directly to regulatory authorities. Below we clear up some of the grey areas that seem to have become industry myths that we commonly find ourselves correcting.
Reflecting on 20 Years of Computer Assisted Structure Elucidation: What CASE has Achieved and What Lies Ahead
At ACD/Labs, we are celebrating the 20th birthday of ACD/Structure Elucidator, our most powerful computer assisted structure elucidation (CASE) product. Much like a calculator, CASE is a tool for speeding up spectral analysis and verifying the results of de-Novo Structure Elucidation. CASE has made an amazing impact on our ability to elucidate compounds quickly and accurately by NMR, and has helped spectroscopists solve some of the most challenging elucidations. To better understand how CASE will influence research and development in the coming years, let’s look back on how it has evolved these past 20 years with respect to advancements in modern technology.
ChemSpider, the most robust online chemical structure database owned by the Royal Society of Chemistry (RSC), includes information on over 63 million structures, properties, and more. After ChemSpider’s market research showed that Percepta Predictors and ACD/Name tools are among the top five functions users regularly seek on ChemSpider, we renewed our partnership last month so we can continue to help the ChemSpider team in refining and updating their database to enhance chemical intelligence worldwide.
In pharma, drug substances (and the resulting formulated drug products) must conform to a variety of quality specifications in order to be approved for use by healthcare practitioners and patients. While most of us who have worked in pharma know the various regulatory statutes and advisory guidance (and can quote them chapter and verse!), my belief is that there is a challenge in the practical and efficient implementation of quality practices that support conformance. When considering the increasing ‘fracturing’ of supply chains that support demand for drug substances in both clinical and healthcare systems worldwide, this challenge only continues to grow.
What do you think of when you hear the word predict? Before I started grad school, I probably would have answered that question with crystal balls and fortune tellers. In reality, scientific predictions are calculations based on empirical evidence - not gut feelings. When used appropriately, they play an integral role in expediting academic and industrial workflows, reducing instrument time, and ultimately, saving money.
Analytical data plays a critical role in R&D by supporting critical decision-making on a daily basis. Whether a synthetic chemist is looking to see if their reaction yielded the product they expected, a group of scientists in development are building an impurity control strategy, or experts in manufacturing are collecting data for regulatory submissions, applications of analytical data are ubiquitous. At a time when the volume of insight-rich data one can gather is extraordinary, chemists working in academic research, industry, and non-profit organizations alike face regular challenges in managing and sharing their data.
Chemical R&D generates a deluge of instrumental analytical data on a daily basis. As critical R&D decisions and regulatory submissions are based on this data, the need for quality data management is more important than ever before. A lot has changed since the days when paper notebooks were the leading data management ‘platform’ among scientists. Advancements in research and instrument hardware continue to increase the amount of data we are able to produce and process. Sanji Bhal sits down with Graham McGibbon, director of strategic partnerships at ACD/Labs, to discuss his outlook on the industry and the pressing need for better management of analytical chemistry data in R&D.