ACD Labs Logo
MENU

Webinar Series

Power Lessons in ACD/Labs Software

February 4-July 8, 2021

Power Lessons are online webinars intended to offer an engaging learning experience to our customers. During these sessions we will demonstrate different ACD/Labs software and cover valuable tips & tricks as well as best practices to optimize your working time. We will also allocate time to answer your questions.

For a complete list of all ACD/Labs Webinars, click here .

*
*
*
*
*
*

Upcoming Sessions

June 24th  Advanced Tools for Method Development Part 1 - ACD/Method Selection Suite

In this Power Lesson we will be covering the following:

  • Leveraging organizational chromatographic data
    • Building a database
    • Searching a database
  • Identifying an ideal starting point for method development
    • Select pH of experiment with pH Selection
    • Use Column Comparison tool to find similar or different columns
    • Identify orthogonal columns using Column Selector


July 8thth  Advanced Tools for Method Development Part 2 - ACD/Method Selection Suite

This Power Lesson will cover the following topics:

  • Evaluating screening data
    • Compare screening data and select the best run for optimization using Selection Mode
  • Introduction to method 1D and 2D optimization
    • Transferring processed data to LC Simulator
    • Specifying suitability limits
    • Finding optimal conditions
    • Evaluating results (Resolution and Suitability Limits Map)


Previous Sessions

Feb. 4th  Designing and planning an experiment in Katalyst D2D

This session will cover creating an experiment and its associated metadata, along with adding materials to an experiment. There will also be discussion on designing an experiment in a 24-well plate, working with templates and pre-dispensed plates, and exporting both machine- and human-readable instructions lists.


Feb. 11th  Processing and managing analytical data in Katalyst D2D

This session will cover how automatic processing in Katalyst D2D works, as well as reviewing analytical data. We will also discuss how to create heat maps and plots within the interface, reprocess data, and how to generate a report.


Mar. 4th  Spectrus Processor for Chemists—NMR Data Handling

This session covers the basics of importing, processing, viewing and reporting NMR data using ACD/Spectrus Processor.

In this session we will discuss the following topics:

  • Interface Overview
  • Importing Data and Structures—adjusting options, navigation
  • Processing NMR Spectra
    • Manual processing
    • Semi-automated processing, structure assignment and verification
    • Generating multiplet reports
  • Viewing data in series
  • Creating Reports


Mar. 16th  Tools for Analyzing Mixtures with NMR

This session covers the tools available in ACD/Spectrus Processor and ACD/NMR Workbook for analyzing mixtures. The various mixture types will be discussed and representative examples using the available tools will be presented.

The session will discuss the following:

  • Overview of tools available for mixture analysis
  • Mixture searching using 1D spectra and databases with 1D spectra
  • Mixture searching using 2D spectra and databases with either 1D or 2D spectra
  • Targeted analysis: defining standards, running unknowns
  • Untargeted analysis overview
  • Known structures search: searching using 1D 13C spectra, or HSQC/HMBC, or peak lists
  • Creating custom databases


Apr. 20th  Quantitative NMR

In this Power Lesson we will discuss the options and possibilities available in ACD/Spectrus Processor and ACD/NMR Workbook for performing Quantitative NMR Analysis. We will focus on the correct options for peak picking and discuss scripts for automatically extracting the concentration and strength of a sample. We will also cover the specialist Quanalyst tool as well as mention the options for targeted analysis and concentration determination.


May 11th  Find The Missing Pieces - How to Solve Incomplete Structures

We are all aware of the existing tools that will confirm a proposed structure for a set of NMR spectra. This is something typical for synthetic chemistry. We also know of the options available when there is no proposed structure at all, but only NMR spectra. This is the typical case for natural products research. In this Power Lesson we will address the situation between these two extremes, when we know part of the structure and want to find out the rest. We will talk about the various tools available in ACD/NMR Workbook and ACD/Structure Elucidator that will help us get the correct answer.


May 27th  Basic Spectrus Processor for LC/MS

This Power Lesson will cover the following topics:

  • Interface overview
  • Importing data and structures—adjusting options, navigation
  • Peak detection—manual and automatic
    • Assigning structures to peaks
    • Averaging MS across a peak
    • Extracting a mass chromatogram
    • Formula generator
    • Spectrum simulator
    • Mass difference tool
  • Creating Reports


June 10th  Advanced MS Processing Within MS Workbook Suite

This Power Lesson will cover the following topics:

  • Data import
  • Processing
    • Setting mass accuracy
    • Average MS across peak
    • Extract mass
    • Attach structures
    • IntelliXtract—componentization
    • IntelliTarget—target component identification
    • IXCR—automated componentization and library search for xCMS
    • Handling MSn data
    • AutoAssignment
  • Reporting
  • Update to Spectrus DB

Previously Recorded Sessions

All recorded sessions are available to current software users in our Customer Portal. See below for a full list of available sessions.

Structure Verification by NMR on the ACD/Labs Spectrus Platform
This session will cover advanced structure verification capabilities in NMR Workbook Suite—Multi-spectral Verification (MSV), Combined and Concurrent Verification (CCV), and Unbiased Verification (UBV). We will also provide an overview of Automated (multi-sample) Structure Verification (ASV), which is successfully deployed by many of our customers. 44min

Tools for Analyzing Mixtures with NMR
This session covers the tools available in ACD/Spectrus Processor and ACD/NMR Workbook for analyzing mixtures. The various mixture types will be discussed and representative examples using the available tools will be presented. 29min

Quantitative NMR
This session will discuss the options and possibilities available in ACD/Spectrus Processor and ACD/NMR Workbook for performing Quantitative NMR Analysis, with a focus on the correct options for peak picking and scripts for automatically extracting the concentration and strength of a sample. Additionally, the specialist Quanalyst tool and options for targeted analysis and concentration determination will be discussed. 37min

Find The Missing Pieces - How to Solve Incomplete Structures
We will discuss the various tools available in ACD/NMR Workbook Suite and ACD/Structure Elucidator Suite to address the extremes of confirming a proposed structure for a set of NMR spectra vs. the options available when there is no proposed structure at all. 28min

Spectrus Processor for Chemists—NMR Data Handling
This session covers the basics of importing, processing, viewing and reporting NMR data using ACD/Spectrus Processor. 32min

NMR Predictors
This session highlights predicting NMR spectra of single structures, multiple structures (mixtures), adjusting settings, and understanding the calculation protocol. 46min

1D and 2D NMR Data Processing Capabilities for NMR Experts
This session is an overview of NMR Workbook Suite with a focus on processing capabilities including importing data, creating a project, and processing data using NMRSync, reporting and databasing. 42min

Advanced Techniques in NMR Workbook Suite
This is an advanced tip and tricks session for ACD/NMR Workbook Suite which includes automated structure verification, combined concurrent verification, unbiased verification, and the Known Structure Search add-on. 48min

Structure Elucidator Suite
This session will cover several topics on the use of Structure Elucidator including solving unknown structures using a known fragment from starting material, de novo elucidation, and a database search of PubChem. 36min

Basic Spectrus Processor for LC/MS
This session discussed importing and processing LC/MS data in ACD/Spectrus Processor, including automatic and manual peak detection and how to create reports. 30min

Spectrus Processor for Chemists—LCMS Data Handling
This session will give an overview of the ACD/Spectrus Processor interface for handling LCMS data with a focus on the interface, importing data and structures, peak detection, and creating reports in ACD/Spectrus Processor. 29min

Advanced MS Processing Within MS Workbook Suite
We will discuss advanced techniques for data import and processing of MS data with ACD/MS Workbook Suite. Topics include setting mass accuracy, componentization, target component detection, handling MSn data, and auto assignment. 35min

Solutions for Metabolite Identification
This session will give an overview of utilizing Spectrus DB to create biotransformation databases and also cover MetaSense, a semiautomated solution for Metabolite identification. 40min

Spectrus Processor for Chemists—Chromatography Data Handling
This session will highlight ACD/Spectrus Processor for handling Chromatographic data—including importing data and structures, processing, viewing results, and generating reports. 25 min

Method Selection Suite: Tools for Method Development Part 1
This session will highlight software capabilities for method development including leveraging organizational chromatographic data in SpectrusDB, and tools to help identify a suitable starting point for method development. 37min

Method Selection Suite: Tools for Method Development Part 2
This session will cover additional capabilities for method development including evaluating screening data and an introduction to 1D and 2D optimization. 34min

AutoChrom: Semi-Automated Stability Indicating Method Development Part 1
This is Part 1 of a two part series on ACD/AutoChrom discussing semi-automated stability indicated method development. 53min

AutoChrom: Semi-Automated Stability Indicating Method Development Part 2
This is Part 2 of a two part series on ACD/AutoChrom discussing semi-automated stability indicated method development. 54min

Spectrus Processor for Optical and Curve Techniques
This session will highlight ACD/Spectrus Processor for handling optical (UV, IR) and curve techniques (TGA, DSC, XRPD, and Raman) - including importing data and structures, processing, viewing results and generating reports. 25min

Chemical Structure Drawing and Nomenclature
This session will cover chemical structure drawing and nomenclature using ACD/ChemSketch and ACD/Name. The features highlighted will include drawing, editing, and naming structures. 38min

PhysChem Predictions with Percepta
This session will provide an overview predicting physicochemical properties on the ACD/Labs Percepta Platform including viewing prediction results for logP, pKa, logD, and aqueous solubility. 43min

Percepta: Practical Tips & Tricks
This session will discuss Percepta tips and tricks, including productivity tools for efficient user data manipulation, constructing complex multi-parameter filters, and combining your in-house experimental information with Percepta calculations. 59min

Percepta: Model Applicability Domain and Training
This session will highlight how to determine the applicability of predictive models in Percepta and how to use your in-house data to improve prediction results. 58min

Databasing Analytical Data
This session will provide an overview for managing analytical data in Spectrus DB including updating data to the database, searching by structure, substructure, text, and spectral data; working with lists, and searching multiple record sets simultaneously. 53min

Spectrus DB: Customizing Views and Data Input Forms
This session will discuss how to customize views and data input forms from within Spectrus DB. 32min

Spectrus DB: Enterprise Solutions for R&D
This session will highlight how the Spectrus Enterprise Platform has been implemented in different ways by customers to solve many R&D challenges. We will discuss commercially available solutions based on the platform, and customized solutions with automation and/or configuration. 58min

Luminata: Enterprise Decision Support Software for CMC Part 1
This is the first of a three-part series and will focus on how a drug development project team can work closely together to import a cGMP synthesis, map any numerical fields from a CDS to a specific stage, show impurity fates and carryover calculations, and more. 37min

Luminata: Enterprise Decision Support Software for CMC Part 2
This is the second of a three-part series and will focus on how a drug development project team can work closely together to create a family tree for a set of batches, map any numerical fields from a CDS to a batch, and evaluate control tables, among other topics. 37min

Luminata: Enterprise Decision Support Software for CMC Part 3
This is the third of a three-part series on Luminata, where we will focus on specific use cases in drug development including justifying process control experiements, relating experimental and predicted degradant data to build a degradant map, and identifying unknown impurities. 33min

Designing and planning an experiment in Katalyst D2D
This session will cover creating an experiment and its associated metadata, along with adding materials to an experiment. There will also be discussion on designing an experiment in a 24-well plate, working with templates and pre-dispensed plates, and exporting both machine- and human-readable instructions lists. 37min

Guide for Designing and Planning an Experiment
A written guide to pair with the first Katalyst D2D Power Lesson.

Processing and managing analytical data in Katalyst D2D
This session will cover how automatic processing in Katalyst works, as well as reviewing analytical data in Katalyst. We will also discuss how to create heat maps and plots within the interface, reprocess data, and how to generate a report. 32min

Automate your Workflows in the Spectrus Platform using Macros
This session will discuss how to use macros to automate your workflows within the Spectrus Platform. 30min

Customizing Report Templates in the Spectrus Platform
This session will discuss how to customize report templates in the ACD/Labs Spectrus Platform. 41min