Articles
Machine Learning Shows Promise for Advancements in Lab Data Analysis
Andrew Anderson spoke to Tanya Samazan, Editor-in-Chief at Instrument Business Outlook, to discuss the Katalyst D2D workflow for experimental design and how machine learning plays a part in high throughput experimentation.
Application Notes
Improving Method Transfer Outcomes
ACD/Labs and the Separation SME team at Pfizer collaborated to create a feature within Method Selection Suite to vary method parameters. With this tool methods are automatically generated for all possible combinations of parameter variations—enabling seamless method transfer without impacting method performance.
Blog
How to Choose NMR Data Analysis Software That’s Right for You
Choosing the right NMR data analysis software is crucial for extracting meaningful insights from your experiments. Important factors to consider include compatibility with various data formats, advanced analysis capabilities, ease of use, deployment options, and customization potential. Carefully considering these aspects will help you choose the right software to streamline your workflows and improve data accuracy.
Press Releases
ACD/Labs Releases v2024 of Modeling Platform Percepta® to Support Pharmaceutical and Chemical R&D at the PhysChem Forum
Version 2024 of Percepta delivers substantial expansions to the training sets and algorithms, improving prediction accuracy for pKa and logP calculators, and a range of ADME and toxicity endpoints. This update also increases coverage of chemical space occupied by new therapeutic modalities such as proteolysis targeting chimeras (PROTACs).
Blog
Computer Assisted Structure Elucidation of Boerelasin B Using Structure Elucidator Suite
The structure of Boerelasin B (molecular formula C29H35NO4) was determined from 1D and 2D NMR spectra as well as by comparison of the spectroscopic data with those of a known similar structure isolated from the same fungus. The NMR data obtained were used by us for challenging Structure Elucidator Suite.
Virtual Symposium
Unveiling Spectral Secrets—Structure Elucidation & Verification Virtual Symposium
Join us to hear industry-leading experts share how they leverage software to make the most of their data and enhance their structure elucidation and verification workflows.
October 23–24, 2024 @ 9:30 AM EDT
Press Releases
ACD/Labs Launches Version 2024 of Spectrus Software for Digitalized, Data-Driven R&D
The latest annual release of analytical and chemical knowledge management software will facilitate decision-making and collaboration for laboratory scientists, help integrate AI into chemistry workflows, and enable life sciences organizations to better leverage their data.