ACD/Labs Version 2024 software is now shipping
For more information, contact us directly or request an update to your software.
What’s New under the Spectrus Platform
A scalable platform to collect and unify chemical, structural, and analytical data and a foundation for producing intelligence from information. Updated products include:
AutoChrom
Method development and optimization for expert chromatographers. Use project-management workflows to define a strategy and implement it with direct instrument control.
Improvements include the optimization of solvent ratios for RPLC.
ChemAnalytical Workbook
Multi-technique analytical data processing, interpretation, and knowledge management software.
Highlights include improvements search and filtering of data, visualization of search results, and refinements to the processing of NMR and hyphenated MS data.
ChemSketch
A complete software package for drawing chemical structures.
New features include several new tools and options to modify structures, edit objects, and manage your files.
Luminata
Enterprise software for CMC information management of process schemes, impurity data, batch histories, and more.
Highlights include support for accelerated stability studies, simplification of data entry, and an array of new features to the web client.
MetaSense
The software solution for efficient, comprehensive metabolite identification.
Improvements include a more exhaustive Table of Metabolites.
Method Selection Suite
A toolset for rapid, reliable development of LC and GC methods. Get advice on pH, temperature, solvent, and column selection; predict pKa, logD, and boiling point; simulate chromatograms and optimize separations.
Improvements include the ability to define primary organic phases.
MS Structure ID
Add on to ACD/MS Workbook Suite to expand structure identification and verification for MS data.
Highlights include improvements in several features within calibration and quantitation, and fragmentation of multiply-charged ions.
MS Workbook Suite
Mass spectrometry software for advanced spectral interpretation and structure verification.
Highlights include improvements in several features within calibration and quantitation, and fragmentation of multiply-charged ions.
Name
Generate chemical names from structures according to IUPAC and Index rules; convert names back to structures.
New features include naming cyclophanes and amido acid substituents according to IUPAC nomenclature.
NMR Predictors
Predict 1D and 2D NMR spectra from structure.
New features include the ability to predict spectra of multiple structures in separate windows, and updated prediction databases.
NMR Workbook Suite
Advanced processing and interpretation tools for NMR spectroscopists.
Highlights include a new automatic peak picking algorithm for HMBC spectra in the presence of noisy data, and improves handling of duplicate spectra in Batch ASV.
Spectrus Processor
Multi-technique, vendor-neutral analytical data processing and analysis software.
Highlights include improvements in display and reporting of structures in chromatographic traces.
Spectrus Processor JS
Browser-based analytical data processing software.
Highlights include improvements in display and reporting of structures of MS and chromatographic traces.
Structure Elucidator Suite
Software to help resolve unknown structures from experimental data.
New features include phenyl fragment detection, and the addition of more than 3 million structures to the PubChem database for Known Structure ID.
ADME Suite
Predict ADME properties (oral bioavailability, absorption, CYP inhibition, etc.) from structure.
Highlights include improvements to the P-gp Substrate specificity predictions, expansion of the training libraries for P-gp Substrates and Protein Binding.
Impurity Profiling Suite
Predict genotoxic and carcinogenic endpoints, from structure, to meet ICH M7 guidelines.
Highlights include an update to the regulatory classification according to the ICH M7 guidelines.
PhysChem Suite
Predict physicochemical properties (logP, logD, pKa, etc.) from structure.
Highlights include enhancements in the prediction accuracy for pKa, logP, and logD, and related pH profile of aqueous solubility and ADME endpoints.
Tox Suite
Predict toxicity endpoints (hERG inhibition, aquatic toxicity, and irritation, etc.) from structure.
Highlights include enhancements to the Ames Test and Aquatic Toxicity predictors, improving the accuracy and reliability of predicted data.