Luminata Overview
Luminata—Cut your impurity data time investment from months into minutes
Taking the Bias Out of NMR Structure Verification
Structure verification is a key activity that an NMR spectroscopist undertakes every day. Reliably labeling structures as “correct” or “incorrect” is not always an easy task and is often entrusted to automated systems for execution. It is not uncommon, however, that the proposed structure that the recorded dataset is to be checked against is biased...
Addressing the Unique Challenges of Analytical Data Management in the Modern R&D Environment
Commonly used informatics technologies do not effectively manage the unique challenges of analytical data management. While data abstraction serves a purpose, it also has limitations since important details, knowledge, and contextual information can be lost.
Generating Unbiased Structural Alternatives for Automated Structure Verification
A new method, Unbiased Verification (UBV), to generate and explore all possible structural alternatives compatible with NMR datasets is presented.
Dow Designs Efficiencies into Method Development with Specialized Software
Read about how AutoChrom supported high quality, consistent separations, and helped finalize a method in 2 days that the Dow AgroSciences team had spent months trying to optimize.
Applying QbD in Process Development
This article discusses how QbD requirements for risk assessment, process assessment, material assessment, documentation, and traceability can be addressed with informatics, using development of an impurity control strategy as an example.
ACD/Labs Collaborates with Pearson to Improve Student Achievement in Chemistry
Integration of ACD/Labs’ NMR prediction software with Pearson’s online digital learning technology helps undergraduate students learn about the relationship between spectroscopic data and chemical structures Toronto, Canada (August 29, 2017)—ACD/Labs, an informatics company that develops and commercializes solutions in support of chemical and pharmaceutical R&D, today announced a collaboration with Pearson, the world’s learning company,...
Adaptation of Retention Models to Allow Optimization of Peptide and Protein Separations
Learn about adaptation of ACD/Method Selection Suite to model protein and peptide separations via RPC & IEC gradient chromatography, with the same simulation accuracy as for small molecules.
ACD/Labs Collaboration Provides NMR Data to Brazilian Biodiversity Natural Products Database
The NuBBE database (NuBBEDB) has been expanded to include predicted NMR data from ACD/Labs in support of research for the development of new drugs from natural products, and sustainability of Brazilian biodiversity. Toronto, CANADA (August 14, 2017)— ACD/Labs, an informatics company that develops and commercializes solutions in support of chemical and pharmaceutical R&D, is delighted...
IntelliXtract 2.0: Simplified Intelligent Component Extraction and Detection
This poster compared IntelliXtract versions 1.0 and 2.0. IntelliXtract 2.0 saw a great reduction in processing options; making it far easier for users to operate. The new algorithm incorporating ion threads also lead to a reduced number of components generated, which greatly reduced user analysis/review time.