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ChemBioOffice Ultra 13.0 Suite Version 13.0 of the ChemBioOffice Informatics Suite has been released by PerkinElmer. With improvements to the ChemBioDraw and ChemBio3D modules, while providing secure cloud storage for improved data sharing, the suite provides the tools necessary to create publication-ready drawings of compounds, reactions, materials and their properties for use in electronic laboratory notebooks (ELNs) and databases, as well as for querying chemical databases. The improved biopolymer toolbar of the ChemBioDraw program enables quick and easy modifications to larger therapeutic agents and


molecular structures such as amino acids, peptides, RNA, DNA and nucleotides. In addition, users can now copy and paste any sequence into the program to manipulate part or the entire section of a sequence in the search for modifications to gain a deeper understanding of their results and correlate biological activity with chemical structures. www.cambridgesoft.com


Genedata Expressionist MSX


Genedata has released its Expressionist MSX software for academic proteomics and metabolomics research. Offering the same algorithms and data


Symyx Notebook update


Accelrys’ Symyx Notebook now offers a new multidimensional scientific spreadsheet for use in planning, executing and tracking a wide range of biological experiments. The spreadsheet improves data access, enhances knowledge management and reduces laboratory cycle times, while


the project tracking and optimisation capabilities improve collaboration and cascade management for project teams and enhance study visibility and capacity management for study directors.


Integration of the new notebook capabilities with the Accelrys


Matrix Gemini update


Combining features from both an electronic laboratory notebook (ELN) and laboratory information management system (LIMS), Matrix Gemini from Autoscribe provides a complete laboratory data management


capability. The company states that this unified technology returns the emphasis to finding a total solution that meets the need of the lab, rather than choosing one type of product or the other. Matrix Gemini can be


6 SCIENTIFIC COMPUTING WORLD


configured to track all actions related to analytical methods typically used in a QC/QA environment, which involves the capture of data from balances and other laboratory instrumentation. www.autoscribe.co.uk


Enterprise Platform supports the combined management of information, tasks and collaboration from early-phase screening through downstream drug metabolism and pharmacokinetics, ADMET, and in vivo pharmacology. accelrys.com


visualisation capabilities that are available in the enterprise-level Genedata Expressionist for Mass Spectrometry (MS), Expressionist MSX is downloaded from a dedicated


website. Genedata states that the validated algorithms significantly reduce the number of false-positive and false-negative biomarkers. www.expressionist-msx.com


For regular product updates, please visit www.scientific-computing.com/products


chemicalize.org


ChemAxon has announced that its free, open access, web-based chemistry search and extraction service, chemicalize.org, is now supported on touchscreen tablet PCs, including Apple iPads and Android devices. Using the service, researchers can calculate and explore a range of structure-based properties, search by structure in the chemicalize.org knowledge-base and


search the internet to find all websites citing a particular chemical structure. In addition to identifying chemical names (SMILES, InChI, traditional and IUPAC names) on websites and in text and PDF files, and converting them to 2D structures, chemicalize.org features high-resolution images for the retina-type displays found in the latest mobile devices. www.chemicalize.org


CLC Genomics Workbench 5.5 and Server 4.5 CLC bio has released version 5.5 of its CLC Genomics Workbench desktop software, supporting a complete resequencing workflow from read mapping over variant detection to downstream analysis. The company has also introduced version 4.5 of its enterprise software, CLC Genomics Server. Both packages have improved


features including advanced variant detection, ideal for genomes of higher ploidy, and workflows that can combine various tools into one single analysis step. Tracks, the new way of storing, comparing and displaying genomics data, can also easily be created and used in all resequencing tools. www.clcbio.com


Ensemble for QA/QC Ensemble for QA/QC, an integrated informatics solution tailored to decrease procedural errors and accelerate data review and results delivery of quality assurance (QA) and quality control (QC) laboratories, has been released. The informatics platform integrates people, procedures and lab systems into one cohesive system that makes data and information available and accessible, wherever and whenever it is needed. This enables real-time control and automation that helps laboratories decrease procedural errors, reduce time spent on data review and speed up the delivery of results to end users. A scalable architecture provides the means to support all levels of deployment from a single site to the entire enterprise, while a thorough security and audit trail implementation delivers support for stringent regulatory compliance requirements such as FDA, GLP and GMP. www.perkinelmer.com


www.scientific-computing.com


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