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12.10.2011 · Sixty-Four Free Chemistry Databases. October 11th 2011. The open Web offers a rich collection of diverse chemical data sources - if you know where to look. It's been over four years since I wrote the previous post in this series describing some emerging chemical databases, and a lot has happened in this space. The time seems right for an update.

Focuses on small chemical compounds. Provided by the European Bioinformatic Institute (EMBL-EBI), UK, as part of the Open Biomedical Ontologies ...

Optimade API. The OQMD is a database of DFT calculated thermodynamic and structural properties of 1,022,603 materials, created in Chris Wolverton's group at Northwestern University.

Search and explore chemical information in the world's largest free chemistry database. Search chemicals by name, molecular formula, structure, ...

OChemDb – Open Chemistry Database. You are required to login to view this page. Register now for free for academic and non-profit research institutions. To commercial users it requires the payment of a license fee.

These databases are of particular interest for chemists. See also this Chemical Data guide. ; CAS Common Chemistry, Open community resource for accessing ...

PubChem is the world's largest collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers. Find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more.

ChemSpider is a free chemical structure database providing fast access to over 100 million structures, properties and associated information.

Crystallography Open Database, COD: Open-access collection of crystal structures of organic, inorganic, metal-organics compounds and minerals, excluding biopolymers. Public e-EROS (Encyclopedia of Reagents for Organic Synthesis) Reference work for reagents and catalysts for the study or organic synthesis.

Request PDF | OChemDb: the free online Open Chemistry Database portal for searching and analysing crystal structure information | The Open Chemistry ...

OChemDb: the free on-line Open Chemistry Database portal for searching and analysing crystal structure information, J. Appl. Cryst. (2018). 51, 1229-1236.

Sixty-Four Free Chemistry Databases · PubChem "… · ZINC "… a free database of commercially-available compounds for virtual screening. · eMolecules ...

PubChem is the world's largest collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers. Find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more.

PubChem Search

The Open Chemistry project offers a suite of permissively licensed cross-platform tools that provide reusable libraries and end-user applications for computational chemistry, materials science, and related areas. Kitware offers services to help you best leverage the Open Chemistry suite. Discover how we can work together to advance your research.

Reaxys was formed by the merger of three databases: Beilstein Handbook of Organic Chemistry, Gmelin Handbook of Inorganic and Organometallic Chemistry, and the Chemistry Patent database. (Structure and Reaction Searching) Science of synthesis [electronic resource] : Houben-Weyl methods of molecular transformations.

spectra from a Japanese database. MassBank - High Quality Mass Spectral database; Crystallography Open Database - a collection of organic, inorganic and complex ...

Oct 12, 2011 · Sixty-Four Free Chemistry Databases. October 11th 2011. The open Web offers a rich collection of diverse chemical data sources - if you know where to look. It's been over four years since I wrote the previous post in this series describing some emerging chemical databases, and a lot has happened in this space. The time seems right for an update.

The Open Chemistry project offers a suite of permissively licensed cross-platform tools that provide reusable libraries and end-user applications for ...

PubChem is an open chemistry database at the National Institutes of Health (NIH). “Open” means that you can put your scientific data in PubChem and that others may use it. Since the launch in 2004, PubChem has become a key chemical information resource for scientists, students, and the general public.

19.12.2017 · Browse free open source Chemistry software and projects below. Use the toggles on the left to filter open source Chemistry software by OS, license, language, ... VMD, and many other quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject.

118 rader · This is a list of websites that contain lists of chemicals, or databases of chemical …

The database contains chemical records, chemical structures, and is searchable by name, synonym, CAS registry number, molecular formula, classification code, locator code, and structure. ChemIDplus is searchable through TOXNET's Toxicology data search. ChemIDplus advanced allows chemical structure and biological/chemical property searching to ...

Keywords: crystal structure databases; COD; Crystallography Open Database; OChemDb; statistics; chemical topology. Similar articlesReuse permissions. 1.