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PRODUCTS



more flexible licensing and new features to improve productivity. A command line interface supports scripting and workflow systems, while FieldStere databases now have automatic fragment de- duplication and time-stamping to support results tracking in ELN and patent applications. New Bio-Isostere Factor scores help to differentiate the effect of replacement moieties clearly, and potentially unstable chemistries are now automatically highlighted in the results table. FieldStere also enables results to be exported as PDFs and copied in 2D or 3D for pasting into drawing applications or presentations.

www.cresset-group.com

For DNA copy number analysis

BioDiscovery has released v5 of its Nexus Copy Number software, an application for DNA copy number analysis of microarray derived data. This latest version of Nexus Copy Number expands on the number of analysis tools available in the software and includes a cloud- based database, called Nexus DB, for secure storage, cross project queries, and global collaboration.

Some of the new features in Nexus Copy Number version 5 include a Survival Predictive Power tool allowing scientists to identify, quickly and efficiently, aberrant regions of the genome that have a high degree of survival prediction accuracy. Additionally Nexus Copy Number can now directly import from and export data to the UCSC Genome Browser, simultaneously display probe level data for multiple samples in a single display, support Affymetrix CYCHP files, incorporate methylation data, and much more.

Nexus Copy Number can integrate and process together, in a single project, data from commercial array platforms such as Agilent, Affymetrix, Illumina, Roche NimbleGen, as well as custom arrays. The software is applicable to many types of studies from focused projects of a cytogeneticist to large scale cancer studies. BioDiscovery is attuned to such different needs and offers the product in a flexible and modular system to allow users to create configurations that are suited to their needs.

www.biodiscovery.com

ELECTRONIC LABORATORY NOTEBOOKS

New version of established ELN

IDBS has released E-WorkBook Suite 8.2, the latest version of its ELN that captures and stores both contextual and experimental fact data in a searchable, secure, traceable and compliant environment. The new version provides enhanced support for controlled data entry processes, easier and faster data entry and analysis, and Intellectual Property (IP) protection capabilities. E-WorkBook is used in many

regulated DMPK, bioanalysis, formulations, and toxicology laboratories that require rigorous control of workflows and data entry processes. This latest version includes enhanced template

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intelligence features, including non-deletable items, enforced sequential data entry, granular drag-and-drop and full template version tracking, all of which reduce the cost and complexity of regulatory compliance. For example, the ability to search and find experiments that used a specific template name and version significantly improves traceability and problem resolution. E-WorkBook now includes plug-

and-play integration with digital signature infrastructures that enables researchers to protect their IP and conform to company policies even more easily. Version 8.2 is certified by SAFE-BioPharma,

SCIENTIFIC COMPUTING WORLD APRIL/MAY 2010

the pharmaceutical industry’s signature standards body. Any SAFE-BioPharma compliant electronic identity system can be quickly and easily configured to work with E-WorkBook. Version 8.2 also includes performance improvements to curve fitting functions, PDF generation, data loading, search capabilities and chemistry queries. This release includes significant

enhancements to multistep chemical pathway generation, rendering and searching, which are of particular importance in metabolite identification and process optimisation. A ‘Print To’ function, increased data exchange capabilities and enhanced

analytical data capture and visualisation are all features that scientists in the areas of method development and validation describe as class-leading.

www.idbs.com

New entry in ELN space

LabWare has announced its LabWare ELN product, a new entry in the electronic laboratory notebook product space. LabWare states that its ELN is a key component of its enterprise laboratory platform strategy. LabWare ELN provides scientists and other laboratory personnel with the automation tools necessary to manage experiments, properly execute tasks, and to capture,

www.scientific-computing.com

More new products online at www.scientific-computing.com/products

CHEMINFORMATICS

Portfolio for scientific data management

Agilent Technologies has introduced OpenLAB, a software portfolio designed to provide methods for labs to capture, share, review and archive scientific data efficiently. Agilent OpenLAB consists of three integrated solutions: OpenLAB Chromatography Data System (CDS), OpenLAB Electronic Lab Notebook (ELN), and OpenLAB Enterprise Content Manager (ECM). The system is designed to grow with customers’ needs, from a small standalone analytical lab through a global network with hundreds of locations. Agilent OpenLAB is instrument vendor-neutral and provides easy migration paths from existing systems, protecting customers’ investments in existing systems. The Agilent OpenLAB CDS is based on the ChemStation and EZChrom Elite instrument systems, which means customers don’t have to sacrifice familiar

workflows to realise OpenLAB’s advantages. Now, instruments from many vendors can connect to any size network, from individual workstations and workgroups, to global enterprises. Instruments can be controlled locally or remotely from any computer. With full instrument control, centralised administration and ease-of-support, users can see lower cost of operation and better instrument utilisation. OpenLAB ELN lets scientists capture and manage the details from each day’s experiments and collaborate with cross- discipline teams, while protecting intellectual property. Agilent OpenLAB ECM is a

secure, central repository enabling customers to capture, manage, share, archive and re-use any data in most file formats. Its web-based user interface is easy to learn, and the retrieval function can perform meta data extraction from analytical and Microsoft Office files.

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