Chromatography Method Optimization (2 Parameters)
Model and Optimize a two parameters (Gradient concentration & temperature, etc.) for LC separation in less time with fewer injections. 5.0min
How to Conquer Your MetID Data
Identify more metabolites, save time with your data mining and collating spectra, search through old studies, and much more. Learn how MetaSense helps you to accomplish all of this in our webinar.
Boehringer Ingelheim Selects ACD/Labs for International Deployment
Implementing software on the ACD/Spectrus Platform simplifies the IT landscape and provides essential analytical data handling tools for leading pharmaceutical company. Toronto, CANADA (Nov. 30, 2016)—ACD/Labs, an informatics company that develops and commercializes solutions in support of chemical and pharmaceutical R&D, today announced that Boehringer Ingelheim, a leading pharmaceutical company, chose to deploy ACD/NMR Workbook...
Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation, Verification, and Revision
Structure elucidation of complex natural products and new organic compounds remains a challenging problem. To support this endeavor, CASE (computer-assisted structure elucidation) expert systems were developed. These systems are capable of generating a set of all possible structures consistent with an ensemble of 2D NMR data followed by selection of the most probable structure on...
Determination of acid dissociation constants (pKa) of cephalosporin antibiotics: Computational and experimental approaches
Comparison of experimental and published pKa values for 88 cephalosporin antibiotics with ACD/pKa and other prediction software.
Replacing Pen and Paper in the Laboratory
The Max-Planck Institute for Biophysical Chemistry have replaced their paper lab journals with the ACD/Spectrus Platform to access all of their data via an interface that they created and optimized in house.
Facing a formidable challenge
Andrew Anderson and Graham A. McGibbon discuss ACD/Labs’ partnership with the Allotrope Foundation.
Schwabe Pharmaceuticals Selects ACD/Labs for Analytical Data Handling and Knowledge Management
Deployment of ACD/Spectrus software provides an efficient, common software environment for data processing and analysis, helping scientists leverage analytical knowledge. Toronto, CANADA (Oct. 19, 2016)—ACD/Labs, an informatics company that develops and commercializes solutions in support of R&D, today announced that Willmar Schwabe Pharmaceuticals, a leading phytopharmaceuticals company, selected software on the ACD/Spectrus Platform to aid...
ACD/Labs Announces Updates to its Informatics Software
V2016.1 of ACD/Spectrus and ACD/Labs Percepta delivers improved knowledge sharing and data-driven decision support for R&D organizations. Toronto, Canada (October 12, 2016)—ACD/Labs, an informatics company that develops and commercializes solutions in support of R&D, today announced new updates across its suite of informatics software products. Version 2016.1 delivers improved functionality to a broad range of...
‘I think I have had this feeling of deja-vu before’…Using a DMPK database
As presented by Steve Thomas at ACD/Labs Cambridge Symposium 2016.