Webinars

Recent webinars from ACD/Labs

Cut Processing Time and Get Quality Answers from Your NMR Data
Dec 13, 2017
A. Moser, D. Argyropoulos
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NMR spectroscopy is used to help verify the structure of molecules so that a project can either progress, or further investigation ensue. The faster the data can be processed and analyzed, the sooner the scientists get answers from their NMR experiments and work can progress.

This short webinar will show you the fastest peak picking and assignment workflow in the industry that not only helps you get answers from your data quickly, but also instills confidence in your interpretation.
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Taking the Bias Out of NMR Structure Verification
Nov 08, 2017
D. Argyropoulos
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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 by the chemist submitting it. Several recent developments have been made in an attempt to reduce this bias, like using multiple 2D spectra and employing Combined Concurrent Verification. Even with these advances, however, initial bias from the chemist may skew the proposed structure and produce a false positive result.

With Unbiased Verification this initial bias is removed, and experimental data is used to generate chemical structures using a Computer Assisted Structure Elucidation system. The entire process is seamless to setup and will produce a quality ranked list of structures that best match the spectra.
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Moving Your MetID from Paper to Web
Apr 26, 2017
R. Lee
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MetID scientists ultimately aim to produce an elucidated biotransformation map with full clarity of the parent compound's metabolic pathway. This information is used by discovery and development groups to understand the metabolic liabilities that can assist in directing the next steps of synthesis. Elucidation of the biotransformation map, however, is a common bottleneck since metabolite identification scientists must deal with disparate data sources and manual workflows for LC/MS data processing and interpretation.
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Smarter Method Development - Webinar III: A 5 Step Strategy to Improve Complex Method Development with Software & Automation
Mar 08, 2017
K. Kassam
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The number of variables that you can investigate to achieve the optimal method for complex samples can be overwhelming.

Watch this final webinar in our series to hear how software can provide a systematic and exhaustive approach towards method development with as much or as little expert intervention as desired. We will introduce you to tools and strategies that will help you achieve robust methods following quality by design (QbD) principles.
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Smarter Method Development - Webinar II: 5 Ways Method Simulation Software Will Help you Save Time, Energy, and Resources
Feb 14, 2017
A.M. Smith, B.G. Pautler
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Whether you start a new method development project from scratch or with a set of standard methods do you ever wonder if you are making the best use of your expertise and resources?

Watch this webinar to see how method simulation software can help speed up routine method development giving you time to concentrate on more difficult and stimulating projects.
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Smarter Method Development - Webinar I: 3 Simple Ways Software Can Speed Your Method Development
Jan 18, 2017
A.M. Smith, B.G. Pautler
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What is your method development strategy? This webinar is for you if you:
  • Rely on knowledge and chemical intuition to choose a starting point
  • Run iterative experiments to optimize methods
Let us introduce you to some simple software tools that can help you speed up method development and optimization with minimal disruption to the way you work.
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How to Conquer Your MetID Data
Dec 07, 2016
R. Lee
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Do you want to identify more metabolites and spend less time doing it?
What if you could save time with your data mining and collating spectra?
Would it be helpful if you could search through old studies?

With MetaSense you will:
  • Struggle no more with data compilation—complete biotransformation maps, stability and kinetic plots are autogenerated as you process and analyze your data
  • Get a head-start on metabolite identification—easy search and review of previous study data, associated spectral and chromatographic data, and interactive assembled data
  • Database with no extra effort—seamless transfer of all results to the knowledge management system
  • Share your results not just reports—an optional web portal offers customizable access to your study results to your internal customers
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ACD/I-Lab: PhysChem, ADME and Tox Prediction, and Name Generation
Oct 07, 2016
D. Argyropoulos (ACD/Labs)
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Reduce the need for labor intensive experimental testing and literature searches; and learn and teach with theoretical/predicted data using the online ACD/I-Lab prediction engine. Predict physicochemical properties, NMR spectra and chemical shifts, and ADME toxicities. The browser-based I-Lab software also assesses prediction reliability and includes searchable content databases.
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ACD/I-Lab: NMR Predictions and Drawing Tools
Sep 30, 2016
D. Argyropoulos (ACD/Labs)
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Reduce the need for labor intensive experimental testing and literature searches; and learn and teach with theoretical/predicted data using the online ACD/I-Lab prediction engine. Predict physicochemical properties, NMR spectra and chemical shifts, and ADME toxicities. The browser-based I-Lab software also assesses prediction reliability and includes searchable content databases.
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Advanced Mixture Analysis with ACD/ChemAnalytical Workbook
Aug 18, 2016
P. Wheeler, B. Pautler
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The practice of mixture analysis by NMR has been growing rapidly in recent years. The latest version of ACD/ChemAnalytical Workbook simplifies and accelerates this process, allowing spectroscopists to efficiently analyze mixtures using both databases and manual processes for quantitative results.
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Tips & Tricks: Advanced Structure Characterization with ACD/NMR Workbook Suite
Aug 04, 2016
P. Wheeler, A. Moser
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Structural characterization of natural and synthetic products using NMR can be a complex, and time-consuming task, often involving multiple NMR spectra for comprehensive characterization. ACD/NMR Workbook Suite is uniquely adept at providing spectroscopists with advanced tools and interpretative algorithms which helps to both simplify the process, and provide intelligent chemical insight.
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Introduction to Structure Characterization with ACD/NMR Workbook Suite
Jul 28, 2016
P. Wheeler, J. DiMartino
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Structural characterization of natural and synthetic products using NMR can be a complex, and time-consuming task, often involving multiple NMR spectra for comprehensive characterization. ACD/NMR Workbook Suite is uniquely adept at providing spectroscopists with advanced tools and interpretative algorithms which helps to both simplify the process, and provide intelligent chemical insight.
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Webinar: Characterize and Verify Chemical Structures with ACD/Structure Elucidator Suite
May 05, 2016
P. Wheeler, J. DiMartino
May 05, 2016, Characterize and Verify Chemical Structures with ACD/Structure Elucidator Suite
Read Abstract
When working to characterize novel structures, or components within a mixture, it is often useful to employ modern Computer-Assisted Structure Elucidation (CASE) techniques to ensure the accuracy of the proposed structure. In this webinar we will discuss and present CASE methods using ACD/Structure Elucidator Suite to effectively elucidate and verify chemical structures.

To effectively determine the structure of a novel compound, it is important to consider all possible structural configurations, and avoid bias wherever possible. Any proposed structure should always be considered as a hypothesis, meaning care should be taken to find whether any experimental data disproves the accuracy of the structure before it is accepted as the most probable. Structure Elucidator Suite provides researchers with an efficient means of employing these techniques, proposing all possible structures and evaluating them against experimental data in an unbiased fashion. It is useful both in situations where non-computational methods are tedious and/or inconclusive, and to provide and unbiased check of manual methods for more conclusive results.
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Webinar: Identifying Previously Characterized Structures with ACD/Structure Elucidator Suite
Mar 31, 2016
P. Wheeler, A. Moser
Mar 31, 2016, Identifying Previously Characterized Structures with ACD/Structure Elucidator Suite
Read Abstract
When working to characterize novel structures, or components within a mixture, it is useful to employ a well-defined strategy in which it is first determined whether the compound in question has been previously identified and structurally characterized. In this webinar we will discuss and present methods which use the capabilities of ACD/Structure Elucidator Suite to effectively tackle this issue, a process known as dereplication.

An example where this is applied is within the realm of natural products, where discovery programs are enjoying a resurgence due to the broad chemical diversity that natural product scaffolds provide. In order to be successful in this field, it is critically important to quickly and reliably separate and identify the active components in biologically derived mixturesidentified through bio-assay and/or mass spectrometry guided fractionation. Screening active compounds early in the development process allows organizations to recognize and eliminate those compounds that have been studied in the past, thereby proactively decreasing the number of structures that will need to be fully elucidated and minimizing the amount of time spent on testing.

We invite you to watch this recorded session, in which we present a complete system and workflow for dereplication by NMR that on average takes less than 15 minutes and can help ensure that the time invested in each ensuing elucidation is well spent.
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