What's New in the Current Software Version
ACD/Labs Version 2025 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 software for expert chromatographers.
Improvements include template reporting, MODR visualization for 2D optimization, and more.
ChemAnalytical Workbook
Multi-technique analytical data processing, interpretation, and knowledge management software.
Highlights include the addition of new features to ease signature verification and tracking of database records.
ChemSketch
A complete software package for drawing chemical structures.
New features include enhanced recognition for π-complex searching and additions to Dictionary.
Katalyst D2D
Enterprise software for CMC information management of process schemes, impurity data, batch histories, and more.
Highlights include the integration of AI tools for efficient exploration of chemical reaction space, integration with Revvity Signals Notebook, and support for kinetic and solubility studies
Luminata
Enterprise software for CMC information management of process schemes, impurity data, batch histories, and more.
Highlights include support for data entry from records in a Spectrus database and direct export to JSON format.
MetaSense
The software solution for efficient, comprehensive metabolite identification.
Highlights include improvements in the fragmentation and labelling of cyclic peptides and more.
Method Selection Suite
A toolset for rapid, reliable development of LC and GC methods.
Improvements include template reporting, MODR visualization for 2D optimization, and more.
MS Structure ID
Add on to ACD/MS Workbook Suite to expand structure identification and verification for MS data.
Highlights include improvements in the fragmentation and labelling of cyclic peptides and more.
MS Workbook Suite
Mass spectrometry software for advanced spectral interpretation and structure verification.
Highlights include improvements in the fragmentation and labelling of cyclic peptides.
Name
Generate chemical names from structures according to IUPAC and Index rules; convert names back to structures.
New features include IUPAC naming in Japanese, and improvements in naming for various classes of compounds.
NMR Predictors
Predict 1D and 2D NMR spectra from structure.
Highlights include the option to ignore exchangeable protons when predicting spectra in D2O and deuterated methanol.
NMR Workbook Suite
Advanced processing and interpretation tools for NMR spectroscopists.
Highlights include the ability to import multispectra JCAMP files as projects and improvements to reporting data from projects with multiple spectra.
Spectrus Processor
Multi-technique, vendor-neutral analytical data processing and analysis software.
Highlights include expanded support for external standard qNMR, and more flexibility for integral curve positioning.
Structure Elucidator Suite
Software to help resolve unknown structures from experimental data.
New features include the ability to import data from NMR eData SD files and automatic detection of para-disubstituted phenyl fragments.
ADME Suite
Predict ADME properties (oral bioavailability, absorption, CYP inhibition, etc.) from structure.
Highlights include improved accuracy for LogP and Solubility predictions through major training set expansions, and enhanced support for QAF-compliant regulatory reporting.
Impurity Profiling Suite
Predict genotoxic and carcinogenic endpoints, from structure, to meet ICH M7 guidelines.
Highlights include automatic CPCA analysis for N-nitrosamines, making it easier to assign potency categories, estimate CPCA scores, and define acceptable intake limits.
PhysChem Suite
Predict physicochemical properties (logP, logD, pKa, etc.) from structure.
Highlights include improved accuracy for LogP and Solubility predictions through major training set expansions, and enhanced support for QAF-compliant regulatory reporting.
Tox Suite
Predict toxicity endpoints (hERG inhibition, aquatic toxicity, and irritation, etc.) from structure.
Highlights include improved accuracy in the Ames Test Predictor with expanded training data, and enhanced QAF-compliant regulatory reporting.