Chemistry: Databases

This resource "has been regarded as the most authoritative and reliable source of information on chemicals, drugs and biologicals. ...It contains over 11,500 monographs – including historic records not available in the print edition." (Quotation from the web site home page.)

ChemBank is a public, web-based informatics environment created by the Broad Institute's Chemical Biology Program and funded in large part by the National Cancer Institute's Initiative for Chemical Genetics (ICG). This knowledge environment includes freely available data derived from small molecules and small-molecule screens, and resources for studying the data so that biological and medical insights can be gained. ChemBank is intended to guide chemists synthesizing novel compounds or libraries, to assist biologists searching for small molecules that perturb specific biological pathways, and to catalyze the process by which drug hunters discover new and effective medicines.

"This database contains information extracted from scientific literature on the structure and activity of compounds that have been tested against HIV, HIV enzymes or opportunistic pathogens." Supported by the US DHHS, NIH, National Institute of Allergy ad Infectious Diseases (NIAID).

A product of the NIST, National Institute of Standards and Technology, the CCCBDB contains:
experimental and computed (quantum mechanics) thermochemical data for a selected set of 1799 gas-phase atoms and small molecules, and also:
tools for comparing experimental and computational ideal-gas thermochemical properties.

The NTP home page provides a list of links to a number of resources, including databases, searches and more in the "NP Quick Links" column along the right side of the page., The National Toxicology Program is under the United States Department of Health and Human Services.

"A compilation of kinetics data on gas-phase reactions." Note a number of additional database links are listed on the left side of the home page.

The NIST Chemistry WebBook provides convenient access to a variety of physical and chemical property data on well defined chemical species and reactions. The site is used by scientists, engineers, educators and the general public.

PubChem Open Chemistry Database, released in 2004, provides information on the biological activities of small molecules. PubChem is organized as three linked databases within the NCBI's Entrez information retrieval system. These are PubChem Substance, PubChem Compound, and PubChem BioAssay.