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IT for Scientific R&D

Deploy scientific software that is designed to marshal, normalize, and manage analytical data. Deliver the efficiencies your organization is looking for with tools your scientists enjoy using.

Digitalize Your Analytical Data Workflows

Scientific data is diverse and disparate. You’ve already deployed ELNs, LIMS, CDSs, and SDMSs to support R&D. But your analytical data is still in heterogeneous formats, scattered across silos. Or it’s reduced to numbers and images with no link to the original data files.

Scattered files in various formats make it hard for your scientists to find and reuse analytical data. An even bigger problem if you want to develop data science applications.

Why organizations like yours adopt our technology
  • Standardize analytical data into a single format for scientist and machine use
  • Reduce software interfaces for your users with vendor-agnostic applications
  • Offer live (immediately re-editable) analytical data for meaningful decision-making
  • Retain chemical and experimental context for future insights
  • Make analytical data accessible throughout your enterprise
  • Re-process data easily when new processing methods are available
  • Decrease your maintenance overhead with thin client applications

What You Need to Know About Our Informatics Platforms

Flexible Infrastructure Support

  • The majority of our technologies are Windows-based; select Percepta products are offered on LinuxWe support both relational (Oracle, PostGreSQL) and non-relational databases (Mongo, HDF5), and object storesWe work with you to design the implementation and architecture strategy that fits your use case and infrastructure

    Containerized deployment is an option for browser-based applications

API So You Can Be Data-Centric

  • Our well-developed API provides machine access to your data and systems throughout your enterprise
  • We have integrated thousands of instruments from all major instrument vendors and continue to add more
  • Our technologies have been integrated with ELNs, LIMS, CDS, SDMS, and in-house systems, and configured to import data to and from systems
Workflow Automation Cog

Workflow Automation

  • Our low-code/no-code application empowers SMEs to automate analytical and chemical workflows. A scripting environment to accommodate complex workflows.

    Native support for analytical instruments and data integration from other systems and sources

    Create digital twins of analytical and chemical processes

Cloud-Enabled Technology

  • Deploy our technologies in the cloud (AWS, Azure, etc.)
  • Marshal instrument data directly to Spectrus database on the cloud for query and visualization
  • Install client applications in the cloud for instant review and reprocessing

Computing at the Edge

  • Reduce latency so scientists can access results quickly—marshal and process analytical data as it’s generated, from analytical instruments to Spectrus on the Cloud

Thin & Thick-Client Applications

  • Browser-based applications ease your maintenance overhead and make applications available to your users on all devices
  • Windows-based applications continue to deliver our expert tools
Brain Circuit

AI-Ready Data

  • Heterogeneous analytical data is engineered and harmonized for your AI applications and data science projects.

    Access machine-readable data using our API or native JSON export.

How We Deliver Scientific Knowledge & Informatics Expertise

Our team brings decades of scientific and informatics experience to help address your needs.

No single informatics system can handle the variety and complexity of data generated in scientific R&D. While we offer the best in analytical and chemical data handling, you need information to flow seamlessly between the systems already in use.

Spectrus delivers native handling of >150 analytical instrument data formats. It also integrates with the other systems already in use in your organization.

Learn More about Partners & Integrations

Because we are scientists first…

  • Live analytical data is at the heart of our data management solutions
  • The intimate connection between chemical structure and analytical data means our software handles and interprets spectral and chromatographic data just like your subject matter experts (SMEs)
  • We know your scientists want to use the instrument best-suited to answer their questions and not be tied to a particular vendor or format—that’s why Spectrus is vendor-agnostic
  • We understand the importance of expert review; our applications and solutions are not black boxes
  • Database search parameters include structural, spectral, and textual inputs
  • We know new insights sometimes require re-processing of data. We make that easy.
  • Our predictive software provides the information you need to assess the reliability of the results. You can also train the algorithms with your own data.
  • We started out supporting applications for small molecule chemistry and expanded to biomolecules as your needs evolved

Don’t have dedicated IT? No problem.

We will work with you to help you choose the right tools for the job. Our blend of scientific and IT domain expertise means we can translate your needs into functional requirements. We also have the resources necessary for a successful implementation.

Customer Reviews
“ACD/Labs is an atypical vendor. You go above and beyond what we ask you to do and draw our attention to what may or may not work a couple of years down the line. We’ve been pleased with everything from cost, performance, the quality of solutions, and your ability to just get on a call and brainstorm.”

Vijay Bulusu
Head Data & Digital Innovation, Pfizer

“Katalyst D2D provides a robust database and data architecture that allows you to go from an experiment to a data science model very quickly, without the very tedious data cleaning. From a data science perspective, the data goes directly from running the experiment to being written to the database. You can pull that into Python to then do your data science workflows almost seamlessly”

Jason (Jay) Stevens
Associate Scientific Director, BMS

“Katalyst ensures that our HT data is captured correctly for AI/ML purposes. It’s high quality, consistent data—including reaction conditions, yields, side-product formation, and outcomes—that we can use directly to build robust predictive models.”

Iulia Strambeanu
Head of High-Throughput Experimentation, Global Discovery Chemistry, Johnson & Johnson

Learn More about IT for Scientific R&D