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1D NMR Assistant |
Designed specifically for the chemist, it features a streamlined user interface, fast and accurate multiplet analysis, and a structure verification algorithm to bring NMR expertise to the chemist's desktop.
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1D NMR Expert |
ACD/1D NMR Expert offers vendor-neutral processing, analysis, and databasing of 1D NMR spectra. Furthermore, it offers advanced verification and quantitation capabilities that allow spectroscopists to study large batches of NMR data at a deeper level.
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2D NMR Expert |
ACD/2D NMR Expert offers vendor-neutral processing, analysis, and databasing of 1D and 2D NMR spectra. Furthermore, it offers advanced verification and quantitation capabilities that allow spectroscopists to study large batches of NMR data at a deeper level.
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2D NMR Predictor |
Predict and create 2D NMR spectra for 1H, 13C, and 15N correlations in heteronuclear or homonuclear experiments. These include COSY, TOCSY, HSQC, HMBC, and more.
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Add-ins for ISIS |
The ACD/Add-ins for ISIS are programs created to integrate ACD/Labs algorithms with MDL ISIS products. Within the ISIS/Base interface you can use ACD/Labs software to calculate many properties: CNMR shifts, HNMR shifts and coupling constants, pKa, logP, logD, solubility, bioconcentration factor, adsorption coefficient, boiling point, and IUPAC and CAS Index names. Now available! Processing and management of experimental spectral data.
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Aldrich NMR Library for ACD/Labs |
Verify your starting materials with this commercial library of over 15,000 database records that include chemical structures and FT-NMR 1H and 13C spectra.
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AutoChrom |
ACD/AutoChrom combines instrument control for Agilent or Waters LC systems with software for logical method development. You define your project and your goals, and AutoChrom will execute the experiments, guide you through the data processing, and help you select the next experiment to perform. This will help you develop better, more robust methods, in less time.
AutoChrom for ChemStation
AutoChrom for Empower 2 Software
Method Development Suite
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Automation Server |
Automating spectral processing, reporting, and databasing across the enterprise.
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Boiling Point |
Predict the boiling point for a compound over a wide range of pressures, as well as the vapor pressure over a wide range of temperatures. Or, calculate the enthalpy of vaporization and the flash point. The boiling point and its related properties are all just a button click away!
Available Branches and Database Add-ons:
Boiling Point Batch
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Calculator Add-ins for Symyx (MDL) Draw |
Convenient Add-in allows you to integrate Symyx (MDL®) Draw with ACD/Labs powerful predictors and naming algorithms.
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ChemBasic |
Do you have a set of routine tasks to perform in ChemSketch? Now you can customize ACD/Labs software for your own purposes, or interface your own programs with ACD/Labs software. ACD/ChemBasic is founded on good design in ACD/Labs software. We have constructed our programs with meta-language variables and data structures that allow you to drive the software with very simple, very high-level language control.
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ChemCoder |
ACD/ChemCoder is a software tool enabling users to encode and retrieve chemical structures with associated data by using 2D barcodes. Large volumes of complex data and inventory can be catalogued, differentiated, and controlled with more ease than ever before!
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ChemCoder SDK |
This software development kit brings the power of ACD/Labs' chemical structure to barcode technology into your custom application.
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ChemFolder |
Organize data for your lab or office with a chemically-intelligent interface. Quickly and easily create your own chemical databases with an unlimited number of records and over 16,000 possible user-defined fields. The input interface is the popular ChemSketch Window. Search your database by structure, substructure, formula, molecular weight, or user-defined data.
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Chemical Nomenclature Service |
ACD/Labs is now offering you the chance to put the power of our ACD/Name software to work for you on a structure-by-structure basis. We will use our powerful Name software to quickly and accurately name your compounds. Then, since we want nothing left to chance, our own ACD/Labs naming experts will review the systematic nomenclature to certify that the name is correct. Whether you have an organic, biochemical, or, in some cases, an organometallic structure, and whether you need IUPAC or CAS Index rule-based names, we will do our utmost to provide a systematic name.
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ChemSketch |
Quickly and easily draw molecules in a chemistry-oriented interface. Instantly calculate the chemical formula, molecular weight, percentage composition. Predict several liquid properties such as density and refractive index. Customize display properties, e.g., atom numbering, chemical symbols, and valence. Draw reactions, schematic diagrams and design other chemistry-related reports and presentations. Work with structures, text, and graphics simultaneously and transfer to any OLE-supported software.
ACD/Dictionary
ACD/Tautomers
ACD/3D Viewer
ACD/Name Freeware
ACD/Labs Extension for ChemDraw
ACD/I-Lab Add-on for ChemSketch
ACD/ChemBasic
Goodies
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ChromGenius |
Select the best generic separation method for a sample, prior to injecting the sample. Predict chromatograms based on the chemical structures of the compounds to be separated. Train ACD/ChromGenius with your own favorite methods and compound classes, or use pre-defined generic separation methods developed by leading chromatographers.
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CNMR Predictor |
Quickly and accurately predict 13C chemical shifts and coupling constants for almost any organic structure.
Train the system with your own data to further improve accuracy.
Also Available:
CNMR DB
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Extension for ChemDraw
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This is the connection of our tools to CambridgeSoft's ChemDraw. We make our prediction and naming tools available using the ChemDraw package as the structure drawing interface.
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FNMR |
Predict 19F chemical shifts and coupling constants from chemical structures.
Train the system with your own data to further improve accuracy.
Also Available:
FNMR DB
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GC Simulator |
GC Simulator is now part of LC Simulator. Please see LC Simulator for more details.
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HNMR Predictor |
Quickly and accurately predict 1H chemical shifts and coupling constants for almost any organic structure.
Train the system with your own data to further improve accuracy.
Also Available:
HNMR DB
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IntelliXtract add-on for MS Manager or MS Processor |
ACD/IntelliXtract performs componentization of LC(GC)/MS data. Components, not peaks, are extracted from the dataset, followed by assignment of the molecular ion, adducts, multimers, neutral losses, and fragment ions for each component. With accurate mass data, automatic determination of the empirical formula for each component is possible.
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LC Simulator |
Simulate HPLC and GC separation methods using chemical structures and previous separations, and predict pKa values based on structure. Optimize the LC separation of any complex chemical mixture according to the following parameters: solvent concentration and elution time, gradient elution program, temperature, and a host of other parameters.
For GC, calculate the elution order for any set of organic chemical structures. Accurately predict the retention time for a new compound when experimental results are available for three or more compounds under the same conditions. Predict the gas chromatogram at any pressure value within the 0-7600 mm Hg range.
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LogD Suite |
Since logP is defined only for neutral species, how do you go about determining the partition coefficient for partially ionized mixtures? ACD/LogD Suite calculates the logD value (the apparent logP values for pH 0 - 14) for almost any drawn organic structure, quickly and accurately, with or without ion-pair partitioning.
Available Branches and Database Add-ons:
LogD Batch
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LogD Sol Suite |
ACD/LogD Sol Suite includes the full-featured ACD/LogD Suite program PLUS the complete ACD/Solubility DB program for look up or prediction of aqueous solubility.
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LogP DB |
Now you can accurately predict the octanol-water partition coefficient for neutral molecules. Our unique structure-fragment approach and an internal database of 18,400 structures assure you fast look-up or a fast and highly-reliable prediction. The accuracy of prediction can be further improved through system training with your own data.
Available Branches and Database Add-ons:
LogP Batch
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Method Development Suite for LC/MS |
When developing a new separation method for your mixture, Method Development Suite for LC/MS is the place to begin. Look up previous separations by chemical structure to find a starting point for method development. Or, predict separations for mixtures of new compounds, before setting foot in the lab. Optimize solvent strength, pH, temperature, and more. Get a clear overview of your experiments with project management capabilities.
ChromManager
Chromatography Applications Database
LC Simulator
MS Manager
IntelliXtract
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Mol2Gif |
ACD/Mol2Gif is an application that enables users to convert a molecule from a MDL molfile (*.mol) to a GIF image (*.gif).
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MolX |
ACD/MolX is an application that gives you the flexibility to bring the power of "chemical structure handling" capabilities into your PC-based applications. It can be easily embedded into custom applications written in a variety of ActiveX-based programming environments.
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MS Fragmenter |
ACD/MS Fragmenter predicts mass fragmentation from chemical structure according to different ionization techniques and fragmentation rules. View and report fragmentation pathways and possible fragment structures.
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MS Manager Suite |
This suite provides our powerful MS, chromatography, and UV-Vis processing and databasing capabilities in one package for those who work with LC/MS data sets. Apply advanced LC/MS processing and analysis algorithms, and store related DAD, mass spectral, and chromatographic data in one place.
MS Manager
UV-IR Manager
ChromManager
Chromatography Applications Database
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Name |
The integrated version of ACD/Name allows you to generate systematic names according to both IUPAC and CAS Index nomenclature rules, in addition to generating chemical structures from names.
Treat general organic compounds and selected classes of biochemicals, organometallics and inorganics.
Available Branches and Database Add-ons:
Name Batch
Name to Structure Batch
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Name Chemist Version |
IUPAC nomenclature expertise of ACD/Name, made affordable within the intuitive ACD/ChemSketch interface.
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NNMR |
Predict 15N chemical shifts and coupling constants from chemical structures.
Train the system with your own data to further improve accuracy.
Also Available:
NNMR DB
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Online Updater |
ACD/Online Updater allows users to check for software updates and update all ACD/Labs software programs on their system simultaneously.
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pKa DB |
Now you can accurately predict the acid-base ionization constant for a wide range of organic compounds. Our unique structure-fragment approach and an internal database of nearly 16,000 structures with over 31,000 experimental pKa values assure you fast look-up or a fast and highly-reliable prediction.
Available Branches and Database Add-ons:
pKa Batch
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PNMR |
Predict 31P chemical shifts and coupling constants from chemical structures.
Train the system with your own data to further improve accuracy.
Also Available:
PNMR DB
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Sigma |
Do you have a hunch that you can correlate some observed behavior of your series of compounds with their Hammett constants? ACD/Sigma Calculator allows you to access directly the electronic substituent constants, σ, calculated for your molecular fragment. What could be easier? Draw your desired substituent, mark the point of attachment to the reaction center using the R button, and then just click on the Sigma button!
Sigma Batch
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Solubility DB |
Given a pH of 9, what is the aqueous solubility you expect for a certain organic compound? Take the guesswork out when you use ACD/Solubility DB.
Available Branches and Database Add-ons:
Solubility Batch
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SpecManager |
Choose ACD/SpecManager - the powerful and flexible software for processing and managing different kinds of experimental spectra and chromatograms: NMR, 2D NMR, MS, UV-Vis, IR & Raman, chromatography, and others. ACD/SpecManager is a the powerful but simple-to-use tool for storing and managing various types of experimental spectra, curves, and chromatograms as well as chemical structures, spectrum parameters and any other related information.
Available Branches and Database Add-ons:
1D NMR Manager
1D NMR Processor
Aldrich Add-on Database
Polymer Database
2D NMR Manager
2D NMR Processor
ChromManager
ChromProcessor
Chromatography Applications Database
ChirBase for ACD/Labs (Analytical-Prep HPLC/SFC/SMB)
ChirBase/GC for ACD/Labs
ChirBase/CE for ACD/Labs
Curve Manager
Curve Processor
MS Manager
MS Processor
UV-IR Manager
UV-IR Processor
NIST IR Database
FDM IR Databases
FDM Raman Databases
Elsevier FTR & FT-IR DB
Coblentz Society Special Collections for ACD/Labs
S.T. Japan Infrared Databases for ACD/Labs
S.T. Japan Raman Databases for ACD/Labs
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SpecManager Enterprise |
ACD/SpecManager unifies spectroscopic data in a single vision. Now, with the advent of ACD/SpecManager SQL, client-server architectures (Oracle) are fully accommodated.
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SpecViewer |
Now you can view processed NMR, MS, UV, Visible, IR, NIR, and Raman spectra through one interface.
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SpecX |
ACD/SpecX gives you the power to effortlessly incorporate spectral processing capabilities into your PC-based applications. It can be easily embedded into custom applications written in a variety of ActiveX-based programming environments.
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Structure Design Suite |
ACD/Structure Design Suite was developed to complement the in-depth chemical knowledge of discovery chemists, and assist them to rapidly identify structural modifications in order to design compounds with improved molecular physical properties, ADME characteristics, or environmental endpoints.
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Structure Elucidator
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Complement the spectroscopist's skill set. ACD/Structure Elucidator allows you to determine the structure of an organic compound based on its 1D and 2D NMR data, and, if available, other data such as mass, IR, UV, spectra, and molecular formulae.
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Waters Advanced Structures Package |
If you are using Millennium®32 or Empower™ chromatographic software, this package will allow you to search for structures or substructures in your Millennium32 or Empower projects or in ISIS databases, edit and look up structures, or use other ACD/Labs software from within the Water interface.
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Waters NuGenesis Integration |
This client/server technology-based software for integration with the Waters NuGenesis® Scientific Data Management System (SDMS) enables connectivity to raw and processed data, and makes viewing documents and images a simple task.
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Web Librarian Web Services |
ACD/Web Librarian Web Services brings the power of ACD/Web Librarian technology to your custom application.
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Workflow Manager |
Design custom workflows and integrate with databasing applications to manage analytical and sample data.
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