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Sirius Analytical and ACD/Labs Announce PhysChem Partnership

Next Generation SiriusT3 Instruments to Interface with ACD/Labs Software for accurate PhysChem Predictions and Focused Measurements


Toronto, Canada (Dec 7th, 2011)— Advanced Chemistry Development, Inc., (ACD/Labs) and Sirius Analytical Instruments, Ltd. are pleased to announce a partnership that enables users to predict pKa, logP, and solubility values using ACD/Labs software prior to taking measurements on the SiriusT3 instrument- focusing experimental efforts.
The partnership will enable users to easily set up a “Sample Model” with parameters predicted by ACD/Labs software and delivered directly to the SiriusT3 instrument interface. The predictions are then used to optimize the experimental parameters and reduce the time it takes to measure accurate physchem results.
In addition, the user will be able to examine the structure, identify ionic species and their distribution in aqueous solubility, and view a graphical output of the results.  The prediction software from ACD/Labs will make its debut on the SiriusT3 on December 1st, 2011.
“Assay Expert brings together the prediction power of ACD/Labs and the physchem measurement expertise of Sirius Analytical. The launch of this module allows our SiriusT3 instrument users to input structures into the SiriusT3 software, obtain predicted physchem data before running an experiment and also use that predicted data to automatically propose optimized assays using rules generated from our expert chemists, based on decades of measurement experience. This greatly simplifies the process of obtaining high quality experimental data and is a powerful addition to the SiriusT3 platform.” said Jon Mole, Executive Vice President, Sirius Analytical Inc.
“With this partnership, we’re bringing together the best in physchem prediction and measurement- Sirius’ leadership in physchem measurements with our reliable predictions for pKa, logP, and solubility,” said Pranas Japertas, ADME/Tox Product Manager, ACD/Labs.
Sirius Analytical Specializes in designing and manufacturing unique analytical instrumentation for the pharmaceutical industry. Sirius instruments provide accurate and reliable values for pKa, logP, logD, solubility and dissolution, using methods based on highly automated potentiometric and spectroscopic titration. The ability of New Chemical Entities to cross biological membranes such as the gastro-intestinal tract, blood-brain barrier, skin and cell walls in general, depends on these critical physicochemical parameters. Sirius also offer an analytical service for high quality physchem outsourcing, used by hundreds of clients worldwide.
Advanced Chemistry Development, Inc. (ACD/Labs) is a chemistry software company that develops and commercializes enterprise and desktop solutions to support R&D efforts, and preserve and re-use legacy chemical and analytical knowledge. ACD/Labs’ areas of expertise include a unique knowledge management solution; spectroscopic data processing and interpretation for NMR, MS, LC/MS, IR, UV, other  optical, and hyphenated instrumental techniques; chemical structure confirmation, verification, and elucidation; impurity,  metabolism, and degradation research; ADME-Tox and physicochemical property prediction, and property-based lead optimization; chromatographic method development and optimization; and chemical nomenclature. We also provide integration with existing Informatics systems and undertake custom projects including enterprise-level automation. A private company founded in 1994, ACD/Labs has worldwide sales and support presence, with offices in N. America, Europe, and Asia. (


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