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Sherry Myles
Streamlining Analytical Data Interpretations at the University of Angers Angers, France (May 19, 2015)—The Plant & Environmental research division at the University of Angers houses a wide group of research teams working at the cutting edge of their respective fields. Recently the Naturally Occurring Substances and Structural Analogues (SONAS) group added ACD/NMR Workbook Suite, ACD/MS...

ACDLabs
Performance of several library search algorithms (against EI mass spectral databases) implemented in commercial software products (ACD/SpecDB, ChemStation, GC/MS Solution, and MS Search) was estimated. Test set contained 1000 mass spectra, which were randomly selected from NIST’08 (RepLib) mass spectral database. It was shown that composite (also known as identity) algorithm implemented in ms search...

Sherry Myles
Building an Analytical Knowledge Management System at the Faculty of Pharmacy of the University of Strasbourg Strasbourg, France (March 18, 2015)—At the Faculty of Pharmacy of the University of Strasbourg houses (France) a diverse group of research teams work at the interface between chemistry and biology. Recently the “Plateforme d’Analyse Chimique de Strasbourg Illkirch” (PACSI)...

Sherry Myles
Web-based interface and new Spectrus Portal technology provides vendor neutral, multi-technique results from analytical experiments to laboratory chemists New Orleans, LA, PITTCON (March 9, 2015)—Answering the growing end-user and IT demand for interface simplicity and seamless deployment, informatics provider ACD/Labs announced a new web-enabled ACD/Spectrus Portal to extend its ACD/Spectrus analytical and chemical laboratory intelligence...

Sherry Myles
The European Bioinformatics Institute (EMBL-EBI) has released version 20 of ChEMBL, the database of compound bioactivity data and drug targets. ChEMBL now incorporates the Hierarchical Editing Language for Macromolecules (HELM), the macromolecular representation standard recently released by the Pistoia Alliance.   Wilmington, DE, USA (February 3, 2015)—The European Bioinformatics Institute (EMBL-EBI) has released version 20...

Sherry Myles
V2015 of cheminformatics software ACD/Spectrus and ACD/Labs Percepta delivers improved knowledge sharing for R&D organizations Toronto, Canada (January 29, 2015)—ACD/Labs, a leading cheminformatics company, today announced the release of their Version 2015 software. Version 2015 builds upon the capabilities of the ACD/Spectrus and ACD/Labs Percepta platforms. Since their market introduction in 2012, and based on...

Sherry Myles
Building a multi-technique polymer database at the University of Lille Nord de France Lille, France, January 12, 2015—In France, the Materials and Transformations Unit (“Unité Matériaux Et Transformations”, UMET) of the University of Lille Nord de France houses a diverse group of materials science laboratories. Recently the Polymer Systems Engineering group added ACD/ChemAnalytical Workbook and...

ACDLabs
From its modest beginnings in the 1950s, nuclear magnetic resonance (NMR) spectroscopy has become the premier analytical tool for the determination of structure of organic natural products. Structural elucidation efforts were originally limited to proton NMR and typically required both relatively large quantities of material and considerable time. However, modern NMR spectrometers, with an array...

ACDLabs
The ACD/Spectrus Platform makes it easier than ever for organizations to capture and re-use the analytical intelligence gathered every day from data generated to solve problems and answer questions. Uniquely connect live analytical data from multiple techniques and instruments, with chemical and structural information, in a vendor-neutral environment to store knowledge that can be accessed,...