Latest Spectrus applications offer deeper integrations, improvement to low code/no code automation, expansion of data import/export, and enhanced analytical data processing and interpretation. Percepta delivers improved prediction accuracy for several models.

ACD/Labs, an informatics company that develops and commercializes software in support of digitalized R&D, has announced the widespread release of version 2025 of their software on the Spectrus and Percepta platforms. Spectrus provides multi-technique analytical data processing and management (NMR, LC/MS, Optical, and Chromatography), assembly of standardized chemical and analytical data, workflow automation, and digitalization. Percepta applications deliver industry-standard property prediction (physicochemical, ADME, and toxicity).
 
“We are not just adding new features with this release,” said Andrew Anderson, Vice President of Innovation & Informatics Strategy at ACD/Labs. “We’re strengthening the ability for scientists to interrogate and share their data, and empowering organizations to leverage that data in a standardized, AI-ready format. We will continue to develop our technologies to support the digitalization goals of our customers with facile data assembly, deeper integrations, and more accessible automation tools.”
 
Deeper and expanded hardware and software integrations in Spectrus software will help data flow across R&D organizations. Version 2025 brings improvements to ACD/Labs’ low-code no-code automation application (Spectrus Conduit™) to reduce vendor reliance and enable organizations to control and expand automated workflows. Bi-directional integration of Katalyst D2D® with Revvity’s Signals Notebook ELN and the ability to attach existing Spectrus database records in Luminata® will not only improve data entry accuracy but also minimize the burden of manual data manipulation and the risk of manual transcription errors.
 
The ability to natively import and standardize analytical instrument data has been a cornerstone of ACD/Labs’ Spectrus software. The thirst for AI/ML- and machine-ready data now makes this essential in the R&D informatics ecosystem. Data import improvements include the ability to import processed and assigned 1D and 2D NMR spectra in the open JCAMP format, the capability to import JSON TetraScience for Empower, and improved data import from various MS and chromatographic instruments. Expanded JSON and chemical structure export options unlock data interoperability and will enable organizations to leverage data to drive scientific and operational decisions.
 
ACD/Labs software continues to serve the scientist’s primary need to access, manipulate, and interrogate data for decision-making:

• Version 2025 of Percepta Platform software delivers through training set expansions to improve prediction accuracy for solubility and logP (which in turn impacts pH-dependent lipophilicity—logD); and cardiotoxicity (AMES test).
• Version 2025 of Spectrus Platform applications offer enhanced analytical data interpretation including improved peptide fragmentation; greater control over data processing; and labelling enhancements for mass spectral and chromatographic data that enable scientists to record interpretations in a scientifically intuitive manner. Reporting has also seen improvements for better documentation and communication of results. This version also introduces integrable third-party AI-tools for synthetic reaction screening and optimization, making cutting-edge technologies accessible to scientists.

About ACD/Labs

ACD/Labs is a leading provider of scientific software, aiding decision-making and digital transformation in chemical and pharmaceutical R&D.
 
Our science-centric solutions offer harmonized, AI-ready analytical, structural, and molecular information, with FAIR-compliance. Our cloud-enabled technologies enable the proliferation of chemically intelligent knowledge and workflow automation.
 
For >30 years, we have partnered with global organizations to enhance productivity and accelerate scientific innovation.

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