Vendor-Neutral, Browser-Based LC/MS Data Processing
Here the authors present Spectrus JS, the first browser-based analytical data processing application that supports vendor-neutral LC/UV/MS and GC/MS (xC/UV/MS) data processing.
Cutting ‘pain points’ can streamline chemical reporting
Jesse Harris offers advice on how to wrangle with a stressful, complicated process for better results and fewer headaches.
Five tactics for upgrading your reporting process
Reporting is an unglamorous but necessary part of pharmaceutical and chemical research and manufacturing. Jesse Harris gives five key tactics for upgrading your reporting process.
Nonlinear Predictive Modelling Enables in Silico Optimization of Chromatographic Methods for Complex Stationary Phase‑Analyte Interactions
The development of robust analytical assays for separation and analysis of complex multicomponent mixtures can often be challenging, reflecting the increased complexity of new medicine and vaccine processes. In silico liquid chromatography (LC) method development strategies for small molecules have reached a mature stage across the pharmaceutical industry. However, a straightforward approach for large molecules...
Reassignment of Improbable Natural Products Identified through Chemical Principle Screening
This article details the revision of nine previously reported structures of natural products that have been reassigned based on chemical intuition, synthesis, CASE (using Structure Elucidator), and DU8+ spectrum prediction. The supplementary information (also attached) details the computer-assisted structure elucidation and other computations involved in the reassignments.
Vérification automatique de structures avec les données RMN et MS
Présenté au Symposium ACD/Labs Paris 2022 Découvrir comment les logiciels d’ACD/Labs sont utilisés dans des laboratoires de R&D comme le vôtre pour numériser et gérer efficacement les données analytiques, et accroître l’efficacité. Découvrez des solutions qui apportent des avantages réels aux scientifiques de diverses industries : Pharmaceutique, Chimique, AgroSciences, et diverses activités: R&D, laboratoire d’analyse,...
Solution sur mesure—bases données globales et impact de la biotransformation
Présenté au Symposium ACD/Labs Paris 2022 Découvrir comment les logiciels d’ACD/Labs sont utilisés dans des laboratoires de R&D comme le vôtre pour numériser et gérer efficacement les données analytiques, et accroître l’efficacité. Découvrez des solutions qui apportent des avantages réels aux scientifiques de diverses industries : Pharmaceutique, Chimique, AgroSciences, et diverses activités: R&D, laboratoire d’analyse,...
Impact of Established and Emerging Software Tools on the Metabolite Identification Landscape
Scientists’ ability to detect drug-related metabolites at trace concentrations has improved over recent decades. Various cheminformatics tools have been developed to address these metabolite identification challenges. This article describes the current state of these tools, and presents a description of pre-experimental and post-experimental metabolite structure generation using MetaSense.
Luminata to Support Small Molecule Process Development
Presented at ACD/Labs Paris Symposium 2022 Learn how ACD/Labs software is used in R&D labs like yours to effectively digitize and manage analytical data, and increase efficiency. Discover solutions that bring real benefits to scientists in various industries: Pharmaceutical, Chemical, AgroSciences, and various activities: R&D, analysis laboratory, Data Scientists etc.
Addressing the Need for More Efficient Analytical Data Processing and Management in High Throughput Experimentation (HTE)
Presented at ACD/Labs Paris Symposium 2022 Learn how ACD/Labs software is used in R&D labs like yours to effectively digitize and manage analytical data, and increase efficiency. Discover solutions that bring real benefits to scientists in various industries: Pharmaceutical, Chemical, AgroSciences, and various activities: R&D, analysis laboratory, Data Scientists etc.