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Platforms and Products

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.

Spectrus Platform

The 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.

Percepta Platform

The 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/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 GC/MS, LC/UV/MS, NMR, IR, and more. Complete routine structure verification and access several spectral databases.

ACD/MS Workbook Suite

Process spectra, extract components, identify unknown peaks, and store live GC/MS & LC/UV/MS data with ACD/MS Workbook Suite, all in an integrated, vendor-neutral software environment.

ACD/MS Fragmenter

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

ACD/MS Structure ID Suite

Perform comprehensive structure characterization with ACD/MS Structure ID Suite. Identify unknown components by screening their accurate mass and/or predicted molecular formula against local ChemSpider & PubChem databases.

MetaSense

Master traditional metabolite identification challenges, while saving time and enhancing collaboration, with MetaSense. Autogenerate biotransformation maps complete with all corresponding LC/UV/MS spectral, chromatographic, and structural data.



ACD/Spectrus Processor

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

ACD/ChemAnalytical Workbook

Process, interpret, analyze, and review chromatography, NMR, MS, IR, and other analytical data in a single vendor-neutral environment. Create and search customized databases containing live data, including spectra, structures, metadata, and annotations.

ACD/Method Selection Suite

Streamline method development by using physicochemical property predictions (ex. logP, logD, pKa, boiling point, etc.) and/or databased experimental separations to efficiently optimize key method parameters (ex. pH, gradient, solvent ratio).

ACD/AutoChrom

Combine direct LC/MS & LC/UV instrument operation capabilities (Agilent ChemStation, Waters Empower) with a rational, stepwise method design workflow to automate and accelerate method development.



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/ChemAnalytical Workbook

Multi-technique analytical data processing and interpretation provides capabilities for the full range of spectroscopic techniques. ACD/ChemAnalytical Workbook is designed for chemists and spectroscopists analyzing complex mixtures in chemical and food research, and production and testing laboratories.



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.

Structure Databases

Structure datacases in ACD/Labs format such as 'Wiley Antibase: The Natural Compound Identifier'



Percepta Platform

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

Percepta Portal

A web-based platform for the analysis of molecular property data and property-guided lead/structure modification.

Absolv Module for Percepta

Calculate Abraham solvation parameters from structure.

LogD Module for Percepta

Calculate logD (lipophilicity based on pH for ionizable compounds) from structure.

LogP Module for Percepta

Calculate logP (lipophilicity) from structure.

pKa Module for Percepta

Calulate pKa values (acid dissociation) from structure.



Katalyst D2D

Software for automated planning, execution, and analysis of high throughput experiments

Luminata

Enterprise software environment for the efficient and comprehensive management of impurity data. Establish effective process and analytical impurity control strategies based on live spectral data and route knowledge, in a purpose-built environment.

MetaSense

The software solution for efficient, comprehensive metabolite identification. Automatically generate and share biotransformation maps—with connected spectra, chromatograms, and structures—from LC/MS data analysis.