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Expressionist Pro 4.0, MassWorks, NetMatch, Cytoscape, ADMET Predictor, Accord, NextBio, ChEBI, BALBES

Genedata has released Expressionist Pro 4.0, a data management and analysis platform for biomarker discovery. The new version now supports the Illumina technology platform in addition to Affymetrix arrays and includes new APIs for integrating third-party algorithms, such as R scripts.

Cerno Bioscience said this week that its MassWorks software now supports Varian MS Workstation mass spectrometry data files. This capability allows users of all Varian GC or LC/MS systems running MS Workstation to calibrate their data for accurate mass using MassWorks.  

NetMatch, a Cytoscape plug-in developed by the University of Catania, the University of Toronto, and New York University, is available here. NetMatch is a search tool for finding user-defined network motifs in any Cytoscape network.

Simulations Plus has added two new models to its ADMET Predictor software product to enable researchers to predict the ability of new compounds to interfere with the HIV integrase enzyme. One model predicts the ability of a potential new drug compound to interfere with strand transfer, while the second model predicts the ability of a potential new drug compound to interfere with 3'-processing.

Accelrys has begun shipping Accord Database Explorer 3.0, Accord SDK 6.2, and Accord Chemistry Cartridge 6.2. Accord Database Explorer 3.0 contains a new forms-based interface that provides querying, browsing, and data-editing tools, and also allows users to create their own local databases for individual projects using a simple wizard. New features in Accord SDK 6.2 include a new CIP calculator and improved support for the Accord Chemistry XML format, a new extensible format for storing and transferring chemistry data to third-party applications without losing Accord-specific features. Accord Chemistry Cartridge 6.2 provides up to 12 times faster sub-structure search performance over the previous release, support for multiple processors when performing chemistry searching, and other performance enhancements, the company said.

NextBio has released a new version of its NextBio search engine. The new release includes “major content updates” in clinical genomics, stem cells, development, and compound and tissue profiling. New features include an improved user interface and query capabilities.

The European Bioinformatics Institute has released version 29 of the ChEBI (Chemical Entities of Biological Interest) small-molecule database, which contains 10,335 curated compounds, here.

A beta release of BALBES, a system for solving protein structures using x-ray crystallographic data using molecular replacement, is available from the University of York here. BALBES includes a database, scientific programs, and a python pipeline.

Filed under

The Scan

Push Toward Approval

The Wall Street Journal reports the US Food and Drug Administration is under pressure to grant full approval to SARS-CoV-2 vaccines.

Deer Exposure

About 40 percent of deer in a handful of US states carry antibodies to SARS-CoV-2, according to Nature News.

Millions But Not Enough

NPR reports the US is set to send 110 million SARS-CoV-2 vaccine doses abroad, but that billions are needed.

PNAS Papers on CRISPR-Edited Cancer Models, Multiple Sclerosis Neuroinflammation, Parasitic Wasps

In PNAS this week: gene-editing approach for developing cancer models, role of extracellular proteins in multiple sclerosis, and more.