Platforms and Products

ACD/Labs Platforms and Products
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ACD/Labs develops and commercializes software solutions for scientists working with small molecules in chemical, biochemical, and pharmaceutical R&D. Our expertise resides in unique knowledge management solutions which unite a variety of advanced functionalities to increase analytical efficiency and productivity, while leveraging the intrinsic value of research knowledge.

This combination of capabilities makes ACD/Labs the foundation of unified laboratory intelligence (ULI) entities. Read more about how ACD/Labs products align with ULI categories Unified Laboratory Intelligence

ACD/Spectrus Platform

The ACD/Spectrus platform builds on almost two decades of expertise in helping scientists and their organizations increase the efficiency of analytical data interpretation. Corporate solutions for analytical data handling, and individual desktop products, fully integrate into the Spectrus knowledge management environment, offering storage for spectral and chromatographic data with interpretation and annotations, and the capability to re-interrogate the information to answer new questions.

ACD/Percepta Platform

The ACD/Percepta platform delivers our full complement of PhysChem; Absorption, Distribution, Metabolism, and Excretion (ADME); and toxicity tools in one seamless environment. Investigate and characterize molecules through property prediction, and analyze and interpret results to guide future work.

Integrate this data into the Spectrus environment for complete knowledge management.

ACD/NMR Predictors

Quickly and accurately predict 1D and 2D NMR spectra, chemical shifts, and coupling constants for 1H, 13C, 15N, 19F, 31P nuclei. The highly accurate algorithms can be further trained with additional user data for customized performance.

ACD/Spectrus Processor

Process and interpret all analytical data in one common interface, including NMR, LC/GC/UV/MS, IR, and more. Gain assistance with routine structure verification and access to spectral databases.

ACD/NMR Workbook Suite

With synchronized peak-picking among related spectra, powerful structure assignment tools, and complete project management including databasing capabilities, ACD/NMR Workbook Suite is the ultimate software tool for structure characterization by NMR.

ACD/NMR Expert

Designed for high-throughput environments, ACD/NMR Expert provides full automation capabilities for large batches of 1D and 2D NMR Data. The software automates the processing, analysis, verification, and databasing of NMR spectra and highlights samples that require extra addition through a convenient and interactive plate view.

ACD/Structure Elucidator Suite

A complete software package to help in the elucidation of unknown structures, providing results in an unbiased fashion. Either use experimental data to carry out a full elucidation resulting in a list of all possible structures that fit the data; or enter a proposed structure and let the software predict the 1D and 2D NMR spectra and propose alternative structures.

Automated Structure Verification

Automate the process of assessing the fit between proposed structure and experimental data, so that only ambiguous or inconsistent structures have to be evaluated manually.

ACD/Spectrus Processor

Process and interpret all analytical data in one common interface, including LC/GC/UV/MS, NMR, IR, and more. Gain assistance with routine structure verification and access to spectral databases.

ACD/MS Workbook Suite

Simplify component finding and structure characterizing with ACD/MS Workbook Suite, with multi-vendor support and integrated knowledge management.

ACD/MS Fragmenter

Predict mass fragmentation in seconds with ACD/MS Fragmenter. Explore fragmentation pathways, gain unbiased review of all possible fragments, and create full-featured reports with ease.

ACD/Labs Metabolite Identification

ACD/Labs' mass spectrometry software includes the ability to rapidly identify metabolites in experimental samples, based on true chemical intelligence.

ACD/Labs MS Structure ID

Quickly identify structures through integrated ChemSpider searching, structural filtering, and retention time prediction.

ACD/IXCR: Intelligent Compound Recognition through Spectral Matching

Reduce the time spent on manual interpretation and validation of GC/MS spectra with Intelligent Compound Recognition from ACD/Labs. Chromatograms are automatically extracted, and components identified via spectral matches from internal or commercial databases.

ACD/Spectrus Processor

Process and interpret all analytical data in one common interface, including NMR, LC/GC/UV/MS, IR, and more. Gain assistance with routine structure verification and access to spectral databases.

ACD/Chrom Workbook

Advanced processing, analysis and management of chromatographic data for separations scientists. Build and share applications databases to accelerate future projects.

ACD/LC & GC Simulator

Optimize concentration gradient, temperature, and resolution of your separation during method development using either a database of experimental chromatograms, or calculations of physicochemical properties such as boiling point, logP, logD, and pKa.

ACD/ChromGenius

Select the best generic method for further study by predicting retention times and chromatograms based on the structures of the compounds to be separated.

ACD/AutoChrom

Combine instrument control for LC/MS and LC/UV systems with software for logical method development to help you develop better, more robust methods, in less time than you ever could before.

ACD/Labs Metabolite Identification

ACD/Labs' mass spectrometry software includes the ability to rapidly identify metabolites in experimental samples, based on true chemical intelligence.

ACD/Spectrus Processor

Process and interpret all analytical data in one common interface, including NMR, LC/GC/UV/MS, IR, and more. Gain assistance with routine structure verification and access to spectral databases.

ACD/Optical Workbook

Along with peak deconvolution and the capability to extract pure component spectra from mixtures, ACD/Optical Workbook captures spectrum/structure correlations and provides the ability to build comprehensive knowledgebases to share expertise and store the human interpretation of data.

ACD/Labs Metabolite Identification

ACD/Labs' mass spectrometry software includes the ability to rapidly identify metabolites in experimental samples, based on true chemical intelligence.

ACD/Spectrus Processor

Process and interpret all analytical data in one common interface, including NMR, LC/GC/UV/MS, IR, and more. Gain assistance with routine structure verification and access to spectral databases.

ACD/Curve Workbook

Regression and peak fitting tools provide advanced data modelling capabilities for a variety of instrumental analytical techniques that produce results as X-Y data. Carry out offline data processing, get help with interpretation, create multi-technique reports with ease, and store and share knowledge to accelerate future research projects.

ACD/Name

ACD/Name generates chemical names according to IUPAC and CAS Index rules, converts names back to structures, and can easily handle challenging areas of nomenclature, such as biological molecules, organometallics, and polymers. Derivative rule reports and links back to the relevant nomenclature recommendations permit a greater insight and understanding of the nomenclature process and the name generated.

ACD/ChemSketch

ACD/ChemSketch is a chemically intelligent drawing interface that allows you to draw almost any chemical structure including organics, organometallics, polymers, and Markush structures. Use it to produce professional looking structures and diagrams for reports and publications.

IUPAC Nomenclature

A HTML reproduction of the published version of "A Guide to IUPAC Nomenclature of Organic Compounds (Recommendations 1993)".

ACD/NMR Databases

Offer access to highly-curated NMR data for 1H, 13C, 15N, 19F, and 31P nuclei, along with third-party spectral NMR databases for identification of impurities and unknowns.

Wiley Mass Spectral Reference Libraries

List of mass spectral reference libraries available from Wiley.

Optical Databases

Search commercial databases from FDM, ST Japan, and more, containing thousands of Infrared and Raman spectra.

Chromatography Databases

Fully searchable commercial databases containing structure, retention times, chromatograms, instrument parameters, column data, and much more.

ACD/Labs Percepta Predictors

Get an in-depth understanding of structure-property relationships with ACD/Labs' fully powered predictive models for physiochemical and ADME properties, and toxicity endpoints.

ACD/Labs Percepta Profilers

Screen and profile compounds for PhysChem and ADMET properties including pKa, lipophilicity, hERG inhibition, oral bioavailability, and more.

ACD/Structure Design Engine

This structure optimization component offers the capability to select a site(s) for modification of a molecular scaffold, and uses the chemist's knowledge of project objectives to define the desired property profile.

Batch Modules for ACD/Percepta

Generate fast and accurate predictions for tens of thousands of compounds in one batch.

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