Tripos has released of Tripos Topomer Search which uses topomeric fields in addition to pharmacophoric properties to compare molecules in searching millions of existing and virtual compounds available today.
Tripos chief scientific officer, Richard Cramer said in a statement that Topomer Search “can screen millions of structures overnight, and fits the everyday workflow of the computational chemist.”
Topomer Search is effective for virtual screening, lead hopping, and scaffold hopping. It is designed to be effective for R-Group and scaffold searching, the company said.
The National Cancer Institute’s Cancer Biomedical Informatics Grid program has launched CaGrid 1.1, which includes new security features based on security policies and procedures from the caBIG security working group. This will enable data sharing across the caBIG Federation.
The development of caGrid 1.1 has been led by the biomedical informaticsdepartment at Ohio State University, with additional technical expertise from the University of Chicago/Argonne National Laboratory, Duke Comprehensive Cancer Center, and SemanticBits.
The new tool is freely available here.
The latest version of the BioModels database has been released and is available here.
This adds 47 models, 38 entering the curated branch, bringing the public version of BioModels Database to 12,482 reactions. A significant portion of the annotation of existing models has also been updated. The database now features 7,985 cross-references.
Models can be retrieved using ChEBI, GO, UniProt, and taxonomy information.
Genedata has released of Genedata Screener Version 5.0, an enterprise solution for screen-to-lead research data analysis and management.
Screener 5.0 combines enterprise assay data management with high-performance processing workflows and flexible analysis tools. In addition, it provides access to a wide range of information from other research and drug discovery systems.
Screener analyzes, integrates, and manages assay data, independent of instrumentation, technology, volume, or location, the company said.