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Found 5 result(s)

Chempound

a Web2.0-inspired repository for physical science data

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Chempound is a new generation repository architecture based on RDF, semantic dictionaries and linked data. It has been developed to hold any type of chemical object expressible in CML and is exemplified by crystallographic experiments and computational chemistry calculations. In both examples, the repository can hold >50k entries which can be searched by SPARQL endpoints and pre-indexing of key fields. The Chempound architecture is general and adaptable to other fields of data-rich science. The Chempound software is hosted at http://bitbucket.org/chempound and is available under the Apache License, Version 2.0

Digital Library for Earth System Education

DLESE

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<<<!!!<<< This repository is no longer available. >>>!!!>>>

ChEMBL

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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.

SureChEMBL

Open Patent Data

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SureChemOpen is a free resource for researchers who want to search, view and link to patent chemistry. For end-users with professional search and analysis needs, we offer the fully-featured SureChemPro. For enterprise users, SureChemDirect provides all our patent chemistry via an API or a data feed. The SureChem family of products is built upon the Claims® Global Patent Database, a comprehensive international patent collection provided by IFI Claims®. This state of the art database is normalized and curated to provide unprecedented consistency and quality.

NIST Data Discovery

NIST PDR

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Data products developed and distributed by the National Institute of Standards and Technology span multiple disciplines of research and are widely used in research and development programs by industry and academia. NIST's publicly available data sets showcase its committment to providing accurate, well-curated measurements of physical properties, exemplified by the Standard Reference Data program, as well as its committment to advancing basic research. In accordance with U.S. Government Open Data Policy and the NIST Plan for providing public access to the results of federally funded research data, NIST maintains a publicly accessible listing of available data, the NIST Public Dataset List (json). Additionally, these data are assigned a Digital Object Identifier (DOI) to increase the discovery and access to research output; these DOIs are registered with DataCite and provide globally unique persistent identifiers. The NIST Science Data Portal provides a user-friendly discovery and exploration tool for publically available datasets at NIST. This portal is designed and developed with data.gov Project Open Data standards and principles. The portal software is hosted in the usnistgov github repository.