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Quantitative analysis addresses scientific challenges across various industries such as food, environment, pharmaceutical, and more. It is crucial to ensure the quality of a product by answering “How much?” This question is answered using essential quantitation xC/UV/MS workflows. MS Workbook Suite software offers a fully integrated quantitative workflow where all xC/UV/MS data can be processed and...

How Data Management is Enhancing Pharmaceutical Development Process chemists are responsible for developing a synthetic method that efficiently synthesizes a drug substance while avoiding the formation of process impurities. However, many process chemists do not have software designed to meet their needs and must use a patchwork of tools to manage their experimental results. Information...

The organizations are collaborating to deliver an integrated AI experience for high throughput experimentation (HTE)   Toronto, CANADA and Lausanne, Switzerland (July 23, 2024)—ACD/Labs, an informatics company that develops and commercializes software in support of R&D, and Atinary Technologies, a pioneer company that offers a no-code platform and self-driving labs technology for AI-driven innovation, announce...

Scientists at Merck published an article about using ChromGenius to predict retention times of new compounds. Abstract We introduce a new workflow that relies heavily on chemical quantitative structure-retention relationship (QSRR) models to accelerate method development for micro/mini-scale high-throughput purification (HTP). This provides faster access to new active pharmaceutical ingredients (APIs) through high-throughput experimentation (HTE)....

Do you want to be able to automate workflows without engaging vendor services? Spectrus Conduit is a low-code/no-code application that empowers subject matter experts (SMEs) to automate analytical and chemical workflows and dataflows. With no coding or programming experience, you can move data between instruments and systems, set up processing, reporting, and data storage routines,...

This article focuses on the effect of airborne exposure on the eye surface, particularly in light of the increasing number of incidents occurring in both civilian and military settings. In this study, in silico methods based on a platform comprising a portfolio of software applications (including ACD/Labs ADME Suite and Tox Suite) and a technology...

Are you confused by the ICH Q14 guidelines? Watch our webinar to learn more about what ICH Q14 guidelines entail and how AutoChrom® can help implement these principles. Topics covered in the webinar include: Details about the ICH Q14 guidelines Description of method development software, AutoChrom Specific details about how tools and features within AutoChrom...

Scientists generate data to support decision-making. They need access to assembled contextual analytical and chemical data to make ‘go/no-go’ decisions. Hear about the tools and capabilities on the Spectrus platform that provide scientists with FAIR data and digital twins. Scientists can query, visualize, interrogate, and share live, assembled data that can be examined and re-processed,...

Data digitalization is the first step to AI-enablement. Federated systems with automated data marshalling and manipulation help you create digital twins of physical processes and achieve digital enablement. Learn about the tools and capabilities offered by the Spectrus platform that will help you realize your goals of workflow digitalization and orchestrated, AI-ready data.

Scientist Kristine Golden discusses the use of high throughput experimentation (HTE) and Katalyst D2D software to generate high quality data for machine learning (ML) and artificial intelligence (AI) models; and the integration of Bayesian optimization for statistical design of experiments (DOE) to accelerate the exploration of reaction design space for chemical development.