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Lab Software | Software for R&D | Chemistry Applications | ACD/Labs This site requires JavaScript to be enable. × Products ChemSketch Name Percepta Platform Spectrus Platform Solutions By Industry By Area of Interest By Analytical Technique Analytical Chemistry Informatics Partners & Integration Professional Services Technical Support Current Software Versions FAQ Hardware and Software Recommendations Maintenance & Support Policies Supported Data Formats Technical Support Requests Resources Resources Library Blog Elucidation of the Month Newsletters Podcast IUPAC Blue Book ChemSketch Freeware Online Tools & More Column Selector LC Method Translator Events & SeminarsCareers Media Chinese French German Japanese Portuguese Contact Us Customer Portal Log In Cart Hear how BMS scientists are leveraging AI and HTE data in our symposium: Exploring Digitalization, AI & HTE. 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From out-of-the-box software to enterprise solutions, find the software that fits your needs. Spectrus Platform Process, Organize, and Share All Your Analytical Data Use a single data processing and management platform for all your analytical data. Software applications in the Spectrus portfolio help you turn data into results, streamline method development, and keep your enterprise’s analytical knowledge organized with the chemical context to support critical decisions. Enterprise Applications Processing & Databasing Expert Systems Analytical Prediction & Simulation Content Libraries IT ToolkitsKatalyst D2D® Integrate and streamline high throughput experimentation (HTE) from design to decision. Learn More Luminata® CMC decision-support software to manage process development data, impurity data, stability data, formulations studies, and track batches of API and drug product. Learn More MetaSense® Manage metabolite identification (MetID) data in one interface. Predict metabolites, process and analyze LC/MS data, generate biotransformation maps, and share your knowledge. Learn More Spectrus JS Browser-based processing and management of analytical data. Learn More Spectrus Processor Process, interpret, and report all your analytical data. Help with structure/spectrum verification and data interpretation, including tools for spectral database search. Learn More ChemAnalytical Workbook Create and share a central database of analytical knowledge with spectral and chromatographic data from all major instrument vendor data formats. Learn More AutoChrom® Method development and optimization for expert chromatographers. Use project-management workflows to define a strategy and implement it with direct instrument control. Learn More MS Structure ID Suite Deconvolute LC/MS and GC/MS data for complex samples and identify unknown components. Search proprietary and commercial databases for candidate compounds. Learn More MS Workbook Suite Process MS data from all your instruments. Deconvolute hyphenated data, annotate mass spectra with adducts and fragments, find known and unknown components by spectra, and match experimental to predicted fragments. Learn More NMR Workbook Suite Process and analyze 1D and 2D NMR data with advanced tools, streamline structure characterization, analyze mixtures, and search and create databases. Learn More Structure Elucidator Suite Computer-assisted structure elucidation (CASE) software for dereplication, verification, component characterization and de-novo structure identification. Learn More Method Selection Suite A toolset for rapid, reliable development of LC and GC methods. Get advice on pH, temperature, solvent, and column selection; predict pK a , log D , and boiling point; simulate chromatograms and optimize separations. Learn More MS Fragmenter Predict mass spectral fragmentation from structure. Learn More NMR Predictors Predict 1D and 2D NMR spectra from structure. Learn More Chromatography Databases Browse the chromatography databases available for use with ACD/Labs software. Learn More IR & Raman Databases Browse the IR and Raman databases available for use with ACD/Labs software. Learn More MS Databases Browse the MS databases available for use with ACD/Labs software. Learn More NMR Databases Browse the NMR databases available for use with ACD/Labs software. Learn More Structure Databases Search Wiley AntiBase via ACD/Labs software. Learn MoreLearn more about Spectrus Platform Percepta Platform Calculate PhysChem, ADME & Tox Properties, and Manage Your Prediction Data The Percepta Platform helps you generate and manage in silico prediction data in one place. Calculate physicochemical and ADME/Tox properties with our industry-leading predictors. Evaluate calculated results, train the algorithms with experimental data, and add custom models to organize your enterprise knowledge where everyone can find and use it. PhysChem Suite PhysChem Suite Predict physicochemical properties (log P , log D , pK a , etc.) from structure. Learn More Log D Log D predictions are based on the log P and pK a models of PhysChem Suite. Learn More Log P Predict log P —choose from three prediction algorithms. Learn More pK a Accurately predict acid dissociation constants directly from structure. Learn More ADME Suite Predict ADME properties (oral bioavailability, absorption, CYP inhibition, etc.) from structure. Learn More Tox Suite Predict toxicity endpoints (hERG inhibition, aquatic toxicity, and irritation, etc.) from structure. Learn More Absolv Calculate solvent-solvent and gas-solvent partition coefficients with Abraham solvation parameters. Learn More Impurity Profiling Suite Predict genotoxic and...