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Found 14 result(s)
---<<< This repository is no longer available. This record is out-dated >>>--- The ONS challenge contains open solubility data, experiments with raw data from different scientists and institutions. It is part of the The Open Notebook Science wiki community, ideally suited for community-wide collaborative research projects involving mathematical modeling and computer simulation work, as it allows researchers to document model development in a step-by-step fashion, then link model prediction to experiments that test the model, and in turn, use feeback from experiments to evolve the model. By making our laboratory notebooks public, the evolutionary process of a model can be followed in its totality by the interested reader. Researchers from laboratories around the world can now follow the progress of our research day-to-day, borrow models at various stages of development, comment or advice on model developments, discuss experiments, ask questions, provide feedback, or otherwise contribute to the progress of science in any manner possible.
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Three parts of a database provide published and unpublished chemical analysis results of archaeological ceramics. These are the results of forty years of applying WD-XRF and other mineralogical and physical laboratory methods to the analysis of sherds from excavations and museums. Drawing on some 30,000 analyses from research projects in Europe, Turkey, the near East, and Sudan, the part published here covers the results of three long-term projects: Early pottery in Thessaly, Greece (1,305 records), Firmalampen and other Roman lamps (1,666 records), and Roman and other pottery produced in Central Europe (4,043 records). This collated information provides an opportunity to work directly on published and unpublished data. These can be used as chemical reference groups for comparison for fine ware classification and in provenance studies.
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jPOSTrepo (Japan ProteOme STandard Repository) is a repository of sharing MS raw/processed data. It consists of a high-speed file upload process, flexible file management system and easy-to-use interfaces. Users can release their "raw/processed" data via this site with a unique identifier number for the paper publication. Users also can suspend (or "embargo") their data until their paper is published. The file transfer from users’ computer to our repository server is very fast (roughly ten times faster than usual file transfer) and uses only web browsers – it does not require installing any additional software.
<<<!!!<<< This repository is no longer available. SPECTRa (Submission, Preservation and Exposure of Chemistry Teaching and Research Data) was a collaboration between Cambridge University and Imperial College to research issues in the deposition of chemistry data in Open Access digital repositories. Funded by the JISC (Joint Information Systems Committee) under its Digital Repositories programme, it ran from October 2005 to March 2007. Requirements for and attitudes towards data archiving and open access publication were discovered by interview and survey. This led to the development of a set of Open Source software tools for packaging and submitting X-ray crystallography, NMR spectra and computational chemistry data to DSpace digital repositories. This collection will hold reports, presentations and papers published from the project: https://www.repository.cam.ac.uk/handle/1810/183858 >>>!!!>>>
MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation of chemical comounds detected by mass spectrometry.MassBank system is originally designed for public sharing of reference mass spectra for metabolite identification. It is also useful for their in-house or local sharing. Recently it finds another application; sharing mass spectra of unknown metabolites for metabolite profiling. The IPB is operating the first european MassBank site, that is part of the consortial MassBank Project. You can access both the set of IPB Tandem-MS and Ion Trap spectra, as well as the other massbank sites.
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.
ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.
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The INFRA-ART Spectral Library is an open-access integrated spectral library of artist paint materials that was designed as a digital support tool for research specialists and other heritage-related professionals that work with non- or minimally invasive spectroscopic techniques.
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Base of Knowledge Wrocław University of Environmental and Life Sciences / Research Data Repository is an institutional open research data repository, offering the possibility to deposit datasets (as well as publications) created by researchers, PhD candidates and students of Wrocław University of Environmental and Life Sciences. It is intended for scientific data from the disciplines related to the University’s profile. It is a platform where research data can be safely collected, stored and openly shared with others, obtaining a permanent Digital Object Identifier (DOI) for each dataset and choosing a data usage license. Research Data Repository applies the FAIR Principles (data is findable, accessible, interoperable and reusable).