The Spectrus Platform is a collection of desktop software, browser-based applications, and an ecosystem of informatics technologies for handling analytical and chemical data. With Spectrus applications, you can process all your analytical data and connect them with chemical structure. No matter the analytical technique or instruments it was gathered on. With all the data in one place you can get answers, make decisions, and share knowledge.
Features:
A Common Format for Standardized Analytical Data:
- A single data format for the analytical techniques used to characterize compounds and formulations in your labs. LC/MS, GC/MS, NMR, Chromatography, Raman, IR, UV, Visible, and more.
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Native support for >150 data formats including major instrument vendors, open-source formats, and emerging standards (e.g., AnIML, JCAMP, and ADF from Allotrope).
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Normalization of heterogeneous data for AI and ML applications
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Chemically Intelligent Data Processing & Analysis:
- Spectrus applications will detect the type of data you’re importing and offer the relevant tools to process and analyze it.
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Connect and assign full chemical and biochemical structures, structure fragments, Markush structures, or atoms to spectra and chromatograms.
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Searchable Knowledge with Context:
- Integration of chemical and biochemical structure means scientists can create direct correlations of structural features with analytical spectra and chromatograms.
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Records in a Spectrus database assemble and connect data from multiple analytical techniques with metadata, other relevant information, and documents.
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Chemically intelligent search means database records can be searched by structure, sub-structure, text/numerical values, and numerous spectral features (peak/exact/similar, etc.)
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The context lab scientists and data scientists need, to make decisions
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Data Accessibility & Data Integrity Assured:
- Knowledge in Spectrus databases is shared by R&D organizations across their global networks. Data may be accessed locally or remotely.
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Establish data access and change permissions so only approved users can make modifications.
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Make data more accessible than ever by deploying browser-based applications.
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Data that is ideal for lab scientists, data scientists, and automated data flows