Chromatogram subtraction breakthrough: SepSolve wins Innovation Award for Smart Subtract
7 November 2025
SepSolve Analytical has been named a winner in The
Analytical Scientist Innovation Awards 2025 for Smart Subtract, a
probability-based chromatogram subtraction tool that accelerates confident
decision-making in GC–MS and GC×GC–MS workflows.
Smart Subtract uses a probability-driven approach to reveal meaningful
differences between chromatograms. By suppressing minor fluctuations, it
generates clean subtracted chromatograms that highlight only significant
changes while retaining spectral information for downstream processing, such as
library searching and reporting. Designed for flexibility, Smart Subtract can
handle data files from a variety of analytical systems, allowing it to be
applied across different laboratory setups. The software supports fast,
informed decision-making in sectors such as petrochemicals, flavours and
fragrances, and recycling, where immediate detection of contaminants,
off-odours or formulation deviations is critical.
The tool was created for a familiar real-world question
faced by analysts: “What’s different between these two samples?” Whether
identifying odour taints, investigating product quality issues or comparing
failed and successful batches, laboratories need clear, actionable answers at
speed. Smart Subtract was designed for exactly these scenarios – enabling
analysts to pinpoint differences, implement corrective actions and prevent
recurrence.
Pete Grosshans, Principal Scientist at SepSolve Analytical,
leads the company’s algorithm development and explains the technical challenge:
“Direct, or naïve, subtraction of two chromatographic datafiles never gives
the straightforward results we expect. To generate meaningful subtractions, we
had to understand and overcome the mechanisms that cause subtraction to fail.
In practice, naïve subtraction is dominated by small relative differences
between intense chromatographic peaks rather than highlighting the larger, more
significant differences between less intense peaks – precisely the insights
analysts need.”
Using experience gained during the development ChromCompare+,SepSolve’s chemometrics platform, the team applied advanced signal-processing
and statistical methods to improve chromatogram interpretation. Early
prototypes already produced simplified chromatograms and high-quality mass
spectra. Close collaboration with beta testers – including researchers from
major chemical companies – ensured the software met both analytical and
business needs, from data clarity through to reporting.
Reflecting the panel’s assessment of this approach, one
judge described Smart Subtract as “smart use of AI technology”, recognising its
contribution to faster, better-supported decision-making in the lab.
Looking ahead, the development team is exploring how the
underlying algorithms could be adapted beyond GC–MS, extending the benefits of
probability-based subtraction across a broader range of analytical platforms.