• Organization: Department of Commerce
• Updated: 2004-12-01 00:00:00

This data collection contains 5,228 infrared spectra of different compounds along with chemical structures for most of them. Spectra are provided on a CD-ROM in the JCAMP-DX (Joint Committee for...

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• Organization: National Institute of Standards and Technology
• Updated: 2004-12-01 00:00:00

This data collection contains 5,228 infrared spectra of different compounds along with chemical structures for most of them. Spectra are provided on a CD-ROM in the JCAMP-DX (Joint Committee for...

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• Organization: Department of Commerce
• Updated: 2025-08-28

Contains the full text, images/drawings, and complex work units (tables, mathematical expressions, chemical structures, and genetic sequence data) of each patent grant issued weekly (Tuesdays)...

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• Organization: National Institute of Standards and Technology
• Updated: 2018-10-19 00:00:00

Materials discovery and development necessarily begins with the preparation and identification of product phase(s). Crystalline compounds can be identified by their characteristic diffraction...

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• Organization: Department of Commerce
• Updated: 2018-10-19 00:00:00

Materials discovery and development necessarily begins with the preparation and identification of product phase(s). Crystalline compounds can be identified by their characteristic diffraction...

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• Organization: Department of Commerce
• Updated: 2025-08-28

Contains the full text, images/drawings, and complex work units (tables, mathematical expressions, chemical structures, and genetic sequence data) of each patent application (non-provisional...

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• Organization: Department of Commerce
• Updated: 2014-01-01 00:00:00

This database is the product of a multi-year, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library.

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• Organization: National Institute of Standards and Technology
• Updated: 2014-01-01 00:00:00

This database is the product of a multi-year, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library.

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• Organization: National Institute of Standards and Technology
• Updated: 2014-09-01

This website was designed to serve two purposes: 1) serve as a modern replacement for the original web site serving the content of NIST Special Publication 922: Polycyclic Aromatic Hydrocarbon...

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• Organization: Department of Commerce
• Updated: 2014-09-01

This website was designed to serve two purposes: 1) serve as a modern replacement for the original web site serving the content of NIST Special Publication 922: Polycyclic Aromatic Hydrocarbon...

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• Organization: National Institute of Standards and Technology
• Updated: 2015-01-01 00:00:00

The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe (FIZ) and the National Institute of Standards and Technology (NIST). Components...

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• Organization: Department of Commerce
• Updated: 2015-01-01 00:00:00

The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe (FIZ) and the National Institute of Standards and Technology (NIST). Components...

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• Organization: Department of Commerce
• Updated: 2025-08-28

Contains the full text of each patent grant issued weekly (Tuesdays) from January 6, 1976 to present (excludes images/drawings). Subset of the Patent Grant Full Text Data with Embedded TIFF Images.

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• Organization: Department of Commerce
• Updated: 2025-08-28

Contains the full text of each patent application (non-provisional utility and plant) published weekly (Thursdays) from March 15, 2001 to present (excludes images/drawings). Subset of the Patent...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2014-01-01

The Distributed Structure Searchable Toxicity (DSSTox) online resource provides high quality chemical structures and annotations in association with toxicity data. It helps to build a data...

• Organization: U.S. Department of Health & Human Services
• Updated: 2025-06-18

PUG provides access to PubChem services via a programmatic interface. Users may download data, initiate chemical structure searches, standardize chemical structures and interact with E-utilities....

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• Organization: National Institute of Standards and Technology
• Updated: 2013-04-01 00:00:00

Chemical Block Layered Alignment of Substructure or Chem-BLAST uses a method for finding chemical compounds within a large collection. In this method, all chemical compounds are annotated in terms...

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• Organization: Department of Commerce
• Updated: 2013-04-01 00:00:00

Chemical Block Layered Alignment of Substructure or Chem-BLAST uses a method for finding chemical compounds within a large collection. In this method, all chemical compounds are annotated in terms...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2017-10-12

Chemical structures, RMSD values, docking scores, additional tables and figures, and methodological details (PDF) Additional information concerning the starting data set, EPA-ARDB.csv...

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• Organization: U.S. Environmental Protection Agency
• Updated: 2020-09-24

This paper describes a model to take chemical structures and predict a property (the point of departure) for a new chemical. No new data were generated. The contents of this zip file contains...

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