Encyclopedia

  • IARC Monographs on the Education of Carcinogenic Risk to Human

    The IARC Monographs identify environmental factors that can increase the risk of human cancer. These include chemicals, complex mixtures, occupational exposures, physical agents, b

  • U.S. EPA Drinking Water Health Advisories

    /action/advisories/drinking/drinking_index.cfm It contains Drinking Water Health Advisories Tables; Estimated Per Capita Water Ingestion in the United States; Chemical Contamin

  • Frequently Asked Questions (FAQs) database

    This web page is designed to answer some of the most frequently asked questions about exposure to toxicants in our environment. Extension toxicologists from the University of Calif

  • ChemRefer

    It doesn't get any simpler. Type in your keywords and get links to the matching full-text PDFs from the primary literature. As mentioned before, the legality of some of ChemRefer's

  • AffinDB

    Search affinity data for complexes found in the Protein Databank. Affinity data are cross-linked to the primary literature through PubMed. Small molecule searching is limited to IU

  • PDBbind Database

    The PDBbind database is developed in Dr. Shaomeng Wang's group at the University of Michigan. The PDBbind database is designed to provide a collection of experimentally measured bi

  • BindingDB

    Structure search over 24,000 Ki and IC50 measurements from over 10,000 molecules. Data is collected from, and cross-referenced to, the primary literature. I was unable to determine

  • Biochemical Pathways Database

    BioPath is a database of biochemical pathways that provides access to metabolic transformations and cellular regulations derived from the Roche Applied Science "Biochemical Pa

  • Kyoto Encyclopedia of Genes and Genomes (KEGG)

    A Japanese counterpart to PubChem/PubMed. One of the most interesting services on this list, KEGG consists of four interconnected databases: KEGG Pathway; KEGG genes; KEGG Brite; a

  • IUPAC-NIST Solubility Data Series

    Search by name or CAS number through over 67,000 solubility measurements. Data were comprehensively compiled from over 1,800 references in primary literature.

  • Computational Chemstry Comparison and Benchmark Database

    Briefly, it consists of molecules with the following constraints: 1. Well established heat of formation. This allows accurate thermochemical comparisons. However we have

  • National Toxicology Program

    More than 80,000 chemicals are registered for use in the United States. Each year, an estimated 2,000 new ones are introduced for use in such everyday items as foods, personal care

  • ChemBank

    Structure search over 36,000 original biological assays of small molecules collected by Harvard's Institute of Chemistry and Cell Biology (ICCB). Many of the data contained in Chem

  • Chemical Structure Lookup Service (CSLS)

    An address book for chemical structures. If you've ever used Metacrawler, then you'll recognize the idea behind SCLS, which is to aggregate several free chemistry databases. Search

  • NMRShiftDB

    Organic structures and their nuclear magnetic resonance (nmr) chemical shifts. NMRShiftDB contains chemical shift data for over 22,000 organic compounds and 19,000 spectra. Records

  • Compendium of Pesticide Common Names

    More than 1,100 commonly-used pesticides. Compounds are located by browsing indexed lists (IUPAC name, CAS number, and trade name) rather than searching. Each entry lists, among ot

  • BioCyc

    A collection of about 3,500 compounds involved as enzyme substrates, products, inhibitors, and activators. On accepting a license agreement, the entire database can be freely downl

  • eMolecules

    Google for molecules. With a simple interface and super fast search engine, eMolecules augments PubChem with other information sources, including specialty chemical catalogs. Altho

  • ZINC

    A free database of commercially-available compounds for virtual screening. Search over 4.6 million compounds by structure, IUPAC name, InChI, and a host of calculated properties. F

  • PubChem

    The granddaddy of all free chemistry databases. Search over 8 million compounds by a variety of criteria. Although some PubChem records are linked into the primary literature throu

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