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Techniques & Tools Data Analysis, Spectroscopy

Then and Now… With Daria Thorp

sponsored by ACD Labs

Think back to 2013… What were your main aims and ambitions for the company?

Analytical scientists must combine scientific knowledge with the outputs of multiple instruments to solve complex problems. And while ongoing advances in instrument technology have brought efficiencies, any time saved is often cancelled out by having to retrieve and match data. We aim to change that with our mission to simplify analytical scientists’ work through software – which we’ve been doing since the release of our first ACD/CNMR Predictor for Windows 3.1 in 1995.

In 2013, we released our Spectrus Platform portfolio of applications and technologies to combat inefficiencies through one goal: All Analytical Data… One Software Interface. To this day, Spectrus Processor is widely used to analyze live, interactive NMR, LC/UV/ MS, UV, IR, etc., data from numerous instrument vendors in a single interface. With built-in chemical intelligence, the platform streamlines chemical structure confirmation, comprehensive reporting, and database searching.

How has your company made a difference over the past 10 years?

When experimental data is connected to chemical structures and aided by interpretation algorithms, it enables workflows that our users hold in high regard. Our 2022 Structure Elucidation & Verification virtual symposium – accessible online – really brought this home for us, as users from top pharmaceutical and medical device companies shared how this approach empowers their work.

For those concerned with impurities, our tracking and CMC decision support software Luminata uniquely combines chemical reaction handling, batch analytical data management, and modern visualization, and has gained popularity in tightly regulated industries, such as pharmaceuticals, where impurity knowledge is paramount for product performance and safety.

Thinking about the future, what excites you most?

Organizations are increasingly investing in standardization and digitalization of analytical chemistry knowledge – often aided by ACD/Labs’ expertise. In addition to optimizing data quality and integrity, having knowledge that is both human- and machine-readable grants scientists access to the data and insights of their colleagues and predecessors, while also enabling machine learning and AI.

Of course, software cannot replace human talent and expertise, but it can empower scientists. Removing tedium by automating routine data processing and analysis allows chemists to focus on challenging cases and innovative science, which increases overall productivity.

And finally, a decade after launching Spectrus Platform at Pittcon 2013, we are excited to present our next stride forward at Pittcon 2023: our new generation of browser-based analytical data processing software, Spectrus JS.

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