ACD/Labs Training Center

Training Course Description Page

All training courses are customizable to suit your needs, please contact training@acdlabs.com for more information.

NMR and Structure Elucidation

Mass Spectrometry

Chromatography


ChemSketch

This detailed list of capabilities will be covered only if ACD/ChemSketch commercial version is purchased:

  • Standard molecular drawing tools
  • ACD/Dictionary
  • Standard and custom templates
  • 3D drawing and optimization
  • Additional molecular drawing tools
  • Calculating macroscopic properties
  • Draw mode
  • Formatting drawing objects
  • Linking to Microsoft Word, PowerPoint, PDF etc...
  • 3D Viewer
  • Tautomer analysis
  • SMILES
  • Free name generation

Advanced course also includes:

  • Customizing styles
  • Working with multiple page documents
  • Import/export & file associations
    • If training for other packages includes a portion of ChemSketch, only the following features will be covered:

      • Standard molecular drawing tools
      • ACD/Dictionary
      • Templates window
      • Draw Mode
      • Formatting drawing objects
      • Creating custom reports

ChemFolder

Boost your databases with the power of structures!

  • Database creation and management
  • Creating and managing records
  • Manipulating databases
  • SDfile import/export
  • View modes
  • Database searching
  • Searching multiple satabases
  • Linking files and URLs

Advanced course also includes:

  • Advanced search—working with lists

For help with ChemFolder Enterprise, please contact Prefessional Services at profservices@acdlabs.com


Name

The World's Most Accurate Automated Name Generation Software

  • Drawing structures for naming
  • IUPAC rules lookup
  • History files
  • Naming preferences
  • Importing/Exporting SDfiles
  • Using Name to Structure

HNMR Predictor

Industry Standard 1H NMR Prediction Software for Chemists and Spectroscopists

  • HNMR prediction algorithm
  • Protocol window
  • Drawing structures for prediction
  • Prediction results
  • Prediction options
  • Multiple structures
  • Stereochemistry
  • History files
  • User Training
  • The internal database
  • Multiple databases

Advanced course includes:

  • Working with patches and patch files
  • Training the DB from raw or processed spectra (requires NMR Processor)
  • Spin system simulation
  • Advanced system training techniques

CNMR Predictor

Industry Standard 13C NMR Prediction Software for Chemists and Spectroscopists

  • CNMR prediction algorithm
  • Protocol window
  • Drawing structures for prediction
  • Prediction results
  • Prediction options
  • Multiple structures
  • Solvent signals
  • Stereochemistry
  • History files
  • User Training
  • The internal database
  • Multiple databases

Advanced course includes:

  • Working with patches and patch Files
  • Training the DB from raw or processed spectra (requires NMR Processor)
  • Spin system simulation
  • Advanced system training techniques

NNMR, FNMR, and PNMR Predictors

Fast and Accurate Prediction of 15N, 19F, and 31P Chemical Shifts and Coupling Constants

  • Training add-on to either HNMR or CNMR Predictor Training

2D NMR Predictor

Fast and Accurate Prediction of 2DNMR Spectra—COSY, HETCOR, HSQC, and other types of 2DNMR experiments.

  • Suggested to accompany CNMR and HNMR Predictors training modules.

1D NMR Manager/NMR Processor

Powerful Processing and Analysis Tools for NMR Spectroscopy

  • Interface basics
  • Import & export
  • Time Domain Processing
    • Zero filling
    • FID shift
    • Linear prediction
    • Enhancing resolution/sensitivity
    • Fourier transform
  • Frequency Domain Processing
    • Phase correction
    • Baseline correction
  • Spectral Analysis
    • Shortcut mode
    • Peak picking
    • Referencing spectra
    • Integration
    • Annotation
    • Peak fitting (Deconvolution)
    • Multiplet analysis
    • Verification
  • Reporting results
  • History & macro files

Advanced course includes:

  • Training predictors from experimental spectra
  • Metabonomics (bucket integration)
  • Group macro processing
  • Specific format topics (Bruker, Varian etc...)
  • Processing an array

MS Manager/Processor

The Software of Choice for MS, LC-MS, GC-MS, and MSn Processing, Prediction, and Analysis

  • Interface basics
  • File import and export
  • Working with full-scan LC/MS or GC/MS data
    • Picking peaks
    • Extracting ion chromatograms
    • Averaging spectra across a chromatographic peak
    • Centroiding a profile data set
    • Calculating empirical formulae
  • Working with MS/MS and MSn data or EI-MS spectra
    • Automatic assignment of fragment ion structures to mass spectral peaks
    • Manual fragment assignment
    • Calculation of neutral loss spectra
    • Techniques for elucidating structure (e.g., metabolite or impurity identification)
  • Predicting a mass spectrum from chemical formula
  • Creating reports
  • Building a database of mass spectra
    • Searching your database by spectral similarity
    • Searching your database by chemical structure

Advanced course includes:

  • Integration to DAD and chromatogram processing and databasing
  • Integration with specific third-party software (MassLynx, Analyst, Xcalibur, etc.)
  • Advanced file management (splitting files)
  • Xcalibur scan filter parameters
  • Macro and group macro processing, analysis, and reporting
  • Applications for accurate mass data

IntelliXtract

Extract chromatographic components from full-scan LC/MS or GC/MS data.

  • Interface Basics
  • Optimizing IntelliXtract input parameters
    • Mass accuracy settings
    • Peak picking, baseline correction, and smoothing settings
    • Troubleshooting and advanced settings
  • Creating peak labels
    • Label potential metabolite peaks
    • Create a custom list of analytes
  • Reviewing IntelliXtract results
  • Working with the Table of Mass Chromatograms
    • Sorting the table
    • Filtering the table, including mass defect, isotope pattern, and custom filters
  • Creating reports

UV-IR Manager/Processor

All in One Processing and Analysis Tools for UV-Vis, NIR, Raman, IR and More

  • Interface basics
  • Import/export essentials
  • Window management
  • Non-uniform data processing
  • Processing the Spectrum
    • Transforming the spectrum
    • Smoothing the spectrum
    • Baseline correction
    • Subtracting spectra
    • Calculating derivative spectra
  • Spectral Analysis
    • Peak picking
    • Peak area and FWHH
    • Peak fitting
    • Assignment and verification
  • Reporting results
  • Multispectral operations
  • Macro processing

Curve Manager/Processor

Advanced Processing, Analysis and Databasing for Analytical Curves

  • Course topics to be announced

2D NMR Manager/Processor

Simple & Powerful Offline Processing and Analysis for 2D Experimental Data

  • Interface basics
  • Import/export essentials
  • Window management
  • Processing spectra
    • Fourier Transform
    • Interactive mode
    • Phase correction
    • Baseline correction
    • Magnitude and power spectra
    • Symmetrizing FT Spectra
  • Analyzing spectra
    • Peak picking
    • Setting gridlines
    • Referencing
    • Integration
    • Assigning peaks
    • Working with 1D spectra
  • Overlaying spectra
  • Subtracting spectra
  • Calculating 2D NMR spectra
  • Prediction aided assignment
  • Macro processing
  • Reporting results

ChromManager/Processor

  • Interface basics
  • Import/export functions
  • Processing and analyzing chromatograms
    • Peak picking
    • Baseline correction
    • Integration
    • Deconvolution
    • Annotation
    • Assigning structures to the peaks
    • Chromatogram parameters
    • Multi-chromatogram operations
  • Reporting results
  • Connection to LC/GC Simulator
  • Connection to third-party software (Waters Empower, Dionex Chromeleon, and PerkinElmer Totalchrom)

Spectral and Chromatographic Databasing

The Integrated Database Solution for NMR, MS, UV-IR, Chromatograms, and Curves

  • Interface basics
  • Adding records
  • Creating multi-spectral records
  • Entering and editing user data
  • Searching the database
    • Structure-based search
    • Data and parameters-based search
    • Text-based search
    • Searching multiple databases
  • View modes
  • Module specific database operations
  • Merging and splitting data

Structure Elucidator

Please contact us at training@acdlabs.com for more information regarding Elucidator training


LC Simulator

Fast and Accurate Prediction and Optimization for Chromatography and Method Development (Training in ChromProcessor, and Spectral Database Recommended)

  • Chromatography prediction
    • Using experimental data
    • Adding structures
    • Chromatographic parameters
    • Calculating prediction equation
    • Predicting elution of other structures
    • Optimizing for pH
  • Chromatography optimization
    • Interface and operation
    • Loading data
    • Combining chromatograms
    • Optimization modes
    • Resolution map
    • Gradient editing
    • 3D resolution optimization
    • Optimizing column parameters
  • Selection mode

PhysChem Suite

Software for the Fast and Reliable Prediction of Physicochemical Properties from Chemical Structure

  • Introduction to PhysChem Suite database
  • pKa Prediction Algorithm
    • Apparent constants
    • Microconstants of current form
    • Single pKa values
  • LogP prediction algorithm
    • Fragments and algorithms
    • Rule-of-5 and warning messages
    • BCF, KOC prediction
  • LogD vs. logP
  • Calculating pKa, logP, logD, and solubility
  • Viewing and reporting results
  • History window operations
  • Internal database operations
  • User training databases
  • System training

PhysChem Batch

Batch Modules of PhysChem Predictors may be Specified as an Add-on Training Module for the Desktop Software

Topics include:

  • Structure list import basics
  • PhysChem Batch options
  • Writing results to SDfiles
  • Writing results to ISIS database .db files
  • Export results to tables, and Microsoft Excel
  • Running from DOS, SUN, and SGI commands

AutoChrom Method Development Suite

Please contact us at training@acdlabs.com for more information regarding AutoChrom Method Development Suite training