A public database of measured binding affinities for biomolecules, genetically or chemically modified biomolecules, and synthetic compounds.

Database of over 400,000 chemicals, synonyms, structures, regulatory list information, and links to other databases

Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers

“Provides a high quality public chemistry resource for supporting improved predictive toxicology. . . . [and] incorporates state-of-the-art cheminformatics workflows, provides the chemical infrastructure for EPA’s Safer Chemicals Research, including the ToxCast and Tox21 high-throughput toxicology efforts

Provides search for properties data for all kinds of chemicals and materials; has a particular focus on handbooks that contain properties and other numeric data, often contained in interactive tables that allow you to manipulate and customize the data.

Provides thermochemical, thermophysical, and ion energetics data compiled by NIST under the Standard Reference Data Program.

Access to NIST scientific and technical data covering substances and properties from various scientific disciplines.

Post-1978 papers dealing with ab initio calculations of atomic and molecular electronic structure. (Requires free registration).

An integrated spectral database system for organic compounds, which includes EI-MS, FT-IR, NMR, 13C NMR, laser Raman, and ESR spectra.

A finding aid that contains annotated bibliographic records describing compilations of thermodynamic and physical property data for chemical compounds and other substances. Most are printed books; a few are freely available Web-based databases. Actual data are not reproduced in ThermoDex.

NIST Literature Report Builder for Thermophysical and Thermochemical Property Measurements

“This guide is designed to assist patrons who need to do an in-depth search of the detailed toxicology of a particular substance or make an extensive review of a topic related to toxicology.”

Databases on toxicology, hazardous chemicals and environmental health.