What's New in the Current Software Version
ACD/Labs Version 2022 software is now shipping.
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.
New features include a target processing and AutoChrom for OpenLab CDS.
ChemAnalytical Workbook
Multi-technique analytical data processing, interpretation, and knowledge management software.
New features include a faster NUS reconstruction algorithm and security and scripting improvements.
ChemSketch
A complete software package for drawing chemical structures.
New features include the ability to search chemical structures and reactions in CAS SciFindern directly from the ChemSketch interface.
Luminata
Enterprise software for CMC information management of process schemes, impurity data, batch histories, and more.
New features include displaying the status of the project in the Dynamic Project Maps view, and using the Search Results Control to search by reaction stage, compound, and peak area.
MetaSense
The software solution for efficient, comprehensive metabolite identification.
New features include combining biotransformation maps generated by the Percepta algorithm with SDFiles, and creating calibration curves with the option to show the line of best fit and error bars.
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.
New features include the ability to transfer methods without impacting method performance by varying optimization parameters.
MS Structure ID
Add on to ACD/MS Workbook Suite to expand structure identification and verification for MS data.
New features include the ability to create calibration curves with the option to show line of best fit and error bars, quantitation of LC/UV/MS data, and remote database search.
MS Workbook Suite
Mass spectrometry software for advanced spectral interpretation and structure verification.
New features include the ability to quantify your LC/UV/MS data, and improved data searching with the inclusion of NIST MS Search.
Name
Generate chemical names from structures according to IUPAC and Index rules; convert names back to structures.
New features include support for three additional languages: Estonian, Latvian, and Lithuanian.
NMR Workbook Suite
Advanced processing and interpretation tools for NMR spectroscopists.
New features include the option to automatically resolve all assignment ambiguities in a project, and the ability to distinguish 2D experiment report templates by the F1 nucleus.
Spectrus Processor
Multi-technique, vendor-neutral analytical data processing and analysis software.
New features include a faster NUS reconstruction algorithm and NIST MS Search.
Structure Elucidator Suite
Software to help resolve unknown structures from experimental data.
New features include the sorting of stereoisomers after fitting residual dipolar couplings.
What’s New under the Percepta Platform
A platform for powerful in-silico predictions; Percepta is the next generation of our physicochemical and ADME-Tox products.
ADME Suite
Predict ADME properties (oral bioavailability, absorption, CYP inhibition, etc.) from structure.
New features include expansion of the experimental data included in the Passive Absorption (Caco-2) module, and the ability to import training libraries in all major file types.
Impurity Profiling Suite
Predict genotoxic and carcinogenic endpoints, from structure, to meet ICH M7 guidelines.
New features include the expansion of ICH M7 classification to include Class 4.
PhysChem Suite
Predict physicochemical properties (logP, logD, pKa, etc.) from structure.
New features include the addition of a pH Selector tool to help select the optimal pH for chromatographic separations, and the ability to import training libraries in all major file types.
Tox Suite
Predict toxicity endpoints (hERG inhibition, aquatic toxicity, and irritation, etc.) from structure.
New features include a significant addition of data for drug-like compounds to the hERG inhibition module, and quantitative prediction of hERG inhibition using physicochemical property values.