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BioSimulators is a registry of containerized biosimulation tools that provide consistent command-line interfaces. The BioSimulations web application helps investigators browse this registry to find simulation tools that have the capabilities (supported modeling frameworks, simulation algorithms, and modeling formats) needed for specific modeling projects.
PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different types of studies, for example, developing machine learning algorithms to predict protein–ligand affinity or mutation's effect on it which requires an extensive amount of data with a wide coverage of mutation types and small molecules. Also, studies of protein-ligand interactions and conformer orientation changes across different mutated versions of a protein can be established using data from PSnpBind.
OpenML is an open ecosystem for machine learning. By organizing all resources and results online, research becomes more efficient, useful and fun. OpenML is a platform to share detailed experimental results with the community at large and organize them for future reuse. Moreover, it will be directly integrated in today’s most popular data mining tools (for now: R, KNIME, RapidMiner and WEKA). Such an easy and free exchange of experiments has tremendous potential to speed up machine learning research, to engender larger, more detailed studies and to offer accurate advice to practitioners. Finally, it will also be a valuable resource for education in machine learning and data mining.
ChemSpider is a free chemical structure database providing fast access to over 58 million structures, properties and associated information. By integrating and linking compounds from more than 400 data sources, ChemSpider enables researchers to discover the most comprehensive view of freely available chemical data from a single online search. It is owned by the Royal Society of Chemistry. ChemSpider builds on the collected sources by adding additional properties, related information and links back to original data sources. ChemSpider offers text and structure searching to find compounds of interest and provides unique services to improve this data by curation and annotation and to integrate it with users’ applications.
The European Genome-phenome Archive (EGA) is designed to be a repository for all types of sequence and genotype experiments, including case-control, population, and family studies. We will include SNP and CNV genotypes from array based methods and genotyping done with re-sequencing methods. The EGA will serve as a permanent archive that will archive several levels of data including the raw data (which could, for example, be re-analysed in the future by other algorithms) as well as the genotype calls provided by the submitters. We are developing data mining and access tools for the database. For controlled access data, the EGA will provide the necessary security required to control access, and maintain patient confidentiality, while providing access to those researchers and clinicians authorised to view the data. In all cases, data access decisions will be made by the appropriate data access-granting organisation (DAO) and not by the EGA. The DAO will normally be the same organisation that approved and monitored the initial study protocol or a designate of this approving organisation. The European Genome-phenome Archive (EGA) allows you to explore datasets from genomic studies, provided by a range of data providers. Access to datasets must be approved by the specified Data Access Committee (DAC).
OASIS-3 is the latest release in the Open Access Series of Imaging Studies (OASIS) that aimed at making neuroimaging datasets freely available to the scientific community. By compiling and freely distributing this multi-modal dataset, we hope to facilitate future discoveries in basic and clinical neuroscience. Previously released data for OASIS-Cross-sectional (Marcus et al, 2007) and OASIS-Longitudinal (Marcus et al, 2010) have been utilized for hypothesis driven data analyses, development of neuroanatomical atlases, and development of segmentation algorithms. OASIS-3 is a longitudinal neuroimaging, clinical, cognitive, and biomarker dataset for normal aging and Alzheimer’s Disease. The OASIS datasets hosted by central.xnat.org provide the community with open access to a significant database of neuroimaging and processed imaging data across a broad demographic, cognitive, and genetic spectrum an easily accessible platform for use in neuroimaging, clinical, and cognitive research on normal aging and cognitive decline. All data is available via www.oasis-brains.org.