ACD/Labs Training Center

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
• pK_a Prediction Algorithm
  • Apparent constants
  • Microconstants of current form
  • Single pK_a values
• LogP prediction algorithm
  • Fragments and algorithms
  • Rule-of-5 and warning messages
  • BCF, K_OC prediction
• LogD vs. logP
• Calculating pK_a, 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