What's New in the Current Software Version
ACD/Labs Version 2023 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 easier access to your instrument console, and improved execution of experiments from the console.
ChemAnalytical Workbook
Multi-technique analytical data processing, interpretation, and knowledge management software.
New features include the expansion of data that can be exported to JSON format and expanded database search options.
ChemSketch
A complete software package for drawing chemical structures.
New features introduce formatted atom numbering, as well as improved visualization for coordination bonds.
Luminata
Enterprise software for CMC information management of process schemes, impurity data, batch histories, and more.
New features include peak metadata synchronization, and the improvement of existing features, such as adding new chemical entities.
MetaSense
The software solution for efficient, comprehensive metabolite identification.
Highlights include improvement of existing features like the import of SDfiles to identify metabolites more accurately.
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 improved method transfer between instruments and labs, and improved 2D solvent ratio optimization mode.
MS Structure ID
Add on to ACD/MS Workbook Suite to expand structure identification and verification for MS data.
Highlights includes the improvement of several features within quantitation, and peak naming for xC/UV/MS data.
MS Workbook Suite
Mass spectrometry software for advanced spectral interpretation and structure verification.
Highlights include the improvement of several features within calibration and quantitation.
Name
Generate chemical names from structures according to IUPAC and Index rules; convert names back to structures.
New features include improved naming of coordination structures, and the ability for users to indicate polyhedral configurations.
NMR Workbook Suite
Advanced processing and interpretation tools for NMR spectroscopists.
New features include a new tool for reporting projects with multiple structures, and the ability to duplicate or rename a project faster than ever.
Spectrus Processor
Multi-technique, vendor-neutral analytical data processing and analysis software.
New features include the expansion of data that can be exported to JSON format, new functionality for qNMR, and improvement in the display of mass spectral search results.
Structure Elucidator Suite
Software to help resolve unknown structures from experimental data.
New features include manual assignment of known fragments, and improvement in the Known Structure Identification workflow with the addition of new Structures to the PubChem library.
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.
Highlights include a significant expansion of the training library for the Metabolic Stability calculator in ADME Profiler, and better accuracy of underlying physicochemical property predictions in ADME Suite.
PhysChem Suite
Predict physicochemical properties (logP, logD, pKa, etc.) from structure.
This version introduces significant improvements to the Classic algorithm for pKa prediction which increases the accuracy of prediction for broader chemical space and offers significant increase in calculation speed.
Tox Suite
Predict toxicity endpoints (hERG inhibition, aquatic toxicity, and irritation, etc.) from structure.
Highlights include improvements in the hERG Inhibition prediction module, and better accuracy of underlying physicochemical property predictions in Tox Suite.