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PRODUCTS
NEWPRODUCTS
BIOINFORMATICS
API for sequence data management platform
GenomeQuest has added a comprehensive Application Programming Interface (API) to its fast-growing sequence data management (SDM) platform. The GenomeQuest platform, already in use for mission-critical research at 17 of the top 20 pharmaceutical firms, allows researchers to compare, mine, share, and aggregate their sequence data, annotations, and findings – all from a web-browser and while accessing the world’s largest collection of sequence reference databases. With the new API, bioinformatics developers and computational biologists can configure and customise their SDM to support all their research and clinical workflows on top of the ‘embarrassingly parallel’
GenomeQuest Engine. One can also unify and cloud-enable an SDM across all users, instruments, tools, databases, projects, and organisations, as well as scale an SDM to large-scale workflows – including broad-based support of next generation sequencing and secure, cloud-level sharing of sequence data and results. The new GenomeQuest API provides full access to and control of the full range of SDM services, including engine-level sequence comparisons and workflow-level configuration/customisation, and cloud-level administration and sharing.
www.genomequest.com
Streamlined biomarker research
IDBS has launched the IDBS Biomarker Discovery and Validation Solution, which streamlines
CHROMATOGRAPHY DATA SYSTEMS
Predictive modelling for chemists
Optibrium has launched its StarDrop 4.3 software. The company claims that its software offers advantages over traditional predictive modelling platforms in that it specifically helps users to identify chemistries with a high chance of success, allowing researchers to focus expensive in-house resources. Used by pharmaceutical and biotech companies and research establishments globally, StarDrop 4.3 guides compound selection and design decisions in all stages of drug discovery. The software is the first major update to StarDrop from Optibrium,
www.scientific-computing.com
helping scientists to select high quality drug candidates with confidence, improving efficiency and productivity.
New features of StarDrop 4.3 include more flexible data set views. Users can now freeze individual columns in the table view and organise the order and layout of properties across all views. Direct printing support enables users to print individual molecules with data from both table and molecule views. In addition, the range of powerful Gaussian Process methods in StarDrop’s Auto-Modeller has been extended to provide new techniques for building classification models.
www.optibrium.com
biomarker research and improves collaboration, intellectual property management, and scientific understanding of complex disease, leading to new therapies. The Biomarker Discovery and
Validation Solution, based on the InforSense and E-WorkBook Suites, is the result of customer deployments with leading organisations such as Celera, Dana-Farber Cancer Institute and the Children’s Hospital of Philadelphia. The solution streamlines the speed and accuracy of biomarker research by enabling scientists to find, analyse and visualise complex phenotypic and genomic data. It provides multiple components supporting gene expression, genome wide association studies (GWAS) and proteomics techniques, which are packaged and deployed as web applications that guide scientists through quality control and analysis processes.
The Biomarker Discovery and
Validation Solution enables scientists to find quickly and display all the latest relevant project data in one simple interface. Data sources can include live internal experimental results and external data provided by contract research organisations (CROs). Users can also upload their results and share them across multiple groups to improve data reuse.
Using the solution, scientists can quickly and easily ‘slice-and- dice’ clinical data to select subject cohorts and then move seamlessly into genomic quality control, analysis and integrated views. At each stage, users are guided through the required steps based
on industry best practice, ensuring a consistent and repeatable approach to genomic analysis, all within an interactive web-based environment. Existing scripts, for example in R or PLINK, can be integrated into the environment, allowing the re-use of internal knowledge and capabilities. The IDBS solution also allows genes and proteins to be automatically annotated using public domain sources such as GenBank, UNI- PROT, GO and OMIM. It provides seamless integration to third- party systems such as metabolic pathway databases, as well as integration with external literature sources such as PubMed.
www.idbs.com
For medicinal chemistry
Cresset has released a new version of its FieldStere bioisostere generator. FieldStere delivers shorter lead optimisation cycles to computational and medicinal chemists by enabling them to choose the best syntheses, to fine- tune portions of lead molecules and to scaffold hop to expand into new areas of chemical space. FieldStere v2.0 is the first in Cresset’s new generation of cloud-enabled applications, which support parallel, distributed computing by default. This brings real-time assessment of new directions for medicinal chemistry, as well as the patentability and in-licensing potential of drug candidates, a step closer. FieldStere can also be run as a traditional desktop application, allowing users without a large computing infrastructure to benefit from the same functionality. The software introduces
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