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Contents  > Science  > Chemistry  > Chemical Databases

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      Abstract Database from Rapra
      Subscription based online library providing information to rubber, plastic, and polymer industries.
      http://abstracts.rapra.net/
      Acronym and Abbreviations Database
      About 13000 acronyms and abbreviations related to chemistry.
      http://www.oscar.chem.indiana.edu/cfdocs/libchem/acronyms/acronymsearch.html
      Agency for Toxic Substances and Disease Registry
      Searchable database for publications and resources about the effect of hazardous substances on public health and the environment.
      http://www.atsdr.cdc.gov/search
      Analytical Science and Instruments Limited
      Providing information to the scientific community on all aspects of the analytical sciences in education, chemical suppliers, consultancies, instrumentation and research.
      http://www.analytical-science.com
      CCOHS: Web Information Services
      Offers subscriptions to chemical databases as well as free access to Chemindex.
      http://ccinfoweb.ccohs.ca/
      Chem Sources
      Supplier information for approximately 200000 chemical compounds. Searching for compounds and supplier information is fee based.
      http://www.chemsources.com/
      ChemBank
      Initiative for Chemical Genetics. Freely available collection of data about small molecules (over 2000 compounds) and resources for studying their properties, especially their effects on biology.
      http://chembank.med.harvard.edu/
      The ChemExper Chemicals Directory
      A catalog of 60000 fine chemicals searchable for free using a chemist-friendly search engine. Products are listed with physical data including IR spectra and MSDS. Contributions to the database possible with dedicated (and free) program.
      http://www.chemexper.com/
      ChemExpo
      News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
      http://www.chemexpo.com
      Chemfinder Chemical Directory
      Directory of chemicals, physical properties, and Internet links.
      http://chemfinder.cambridgesoft.com/
      Chemical Abstracts Service (CAS)
      Provides pathways to published research in the world's journal and patent literature through tools such as SciFinder, SciFinder Scholar and STN. CAS databases provide access to over 25 million documents, 26 million chemical substances, and 56 million sequences.
      http://www.cas.org/
      Chemical Kinetics and Thermochemistry Database for High-Temperature Materials Synthesis
      Free database containing thermochemistry data for over 400 compounds relevant to high-temperature processes used in materials synthesis. Searching by molecular formula.
      http://www.ca.sandia.gov/HiTempThermo/
      ChemIDplus
      A free database of 350000 chemical compounds. Records consist of name, synonyms, CAS number, molecular formula, and direct links to biomedical resources. Included also over 100000 structures. Searchable by substructure with free Chime plugin.
      http://chem.sis.nlm.nih.gov/chemidplus/
      CHEMnetBASE
      Online access to major chemical reference works from Chapman and Hall/CRC including Combined Chemical Dictionary (CCD), The Handbook of Chemistry and Physics, Polymers: A Property Database, Properties of Organic Compounds.
      http://chemnetbase.com
      ChemRef
      Database of organic compounds that have been identified in petroleum materials. Includes chromatographic separations, mass spectra, chemical structures, molecular weight, etc.
      http://www.chemref.com
      ChemSpider - Database of Chemical Structures and Property Predictions
      ChemSpider is a free chemistry search engine which aggregates and indexes chemical structures and their associated information into a single searchable repository.
      http://www.chemspider.com/
      CML Reference Collection
      Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
      http://www.randomfactory.com/cml.html
      DDBST - Dortmund Data Bank and DDB Software Package
      Database of thermodynamic and transport properties of pure components and mixtures for use in process design and development and related software package.
      http://www.ddbst.de
      Derwent World Patents Index
      Comprehensive database of value-added patent documents. 1.5 million patent documents from 41 patent-issuing authorities are added into the database each year.
      http://scientific.thomson.com/products/dwpi/
      DETHERM Thermophysical Properties
      Thermophysical properties of pure substances and mixtures. Phase equilibrium data, caloric data, critical data, transport properties, electrolyte data. Data sets with descriptors and bibliographic references.
      http://i-systems.dechema.de/detherm
      EaSI-Pro
      On-line, fee-based database of dangerous substances and (inter)national legislation on 200.000 chemicals.
      http://www.easi-pro.com
      eMolecules: Searching the World's Chemistry
      Free chemical structure search engine. Millions of public domain structures. Very fast substructure searching. Results link to data about these structures. Searching for chemical names and synonyms. Finding commercial sources of chemical compounds from vendors worldwide.
      http://www.emolecules.com
      ESIS: European chemical Substances Information System
      Provides information on chemicals, related to: EINECS, ELINCS, HPVCs and LPVCs, Classification and Labeling, IUCLID Chemical Data Sheets, Risk Assessment.
      http://ecb.jrc.it/esis/
      EuroSpec
      International spectroscopic data bank and archive project for spectroscopic and associated data, from peer reviewed publications, with link to the chemical abstracts register.
      http://www.is-db.org/eurospec/
      FTIRsearch.com
      Search a database of 87,000 FTIR and Raman spectra using text or full spectral comparison. JAVA required.
      http://ftirsearch.com
      Fydat - Physical Property Database
      Point properties and thermodynamic and transport properties of over 500 common organic compounds and gases. Program calculates mixture properties. Demo version available.
      http://home.tiscali.cz:8080/~cz050233/indexe.html
      Hazardous Chemical Database
      Contains names, formulas and registry numbers for 1991 hazardous chemicals. This site was last updated in 1996.
      http://ull.chemistry.uakron.edu/erd/
      Indiana University Molecular Structure Center
      Small molecule database of structures that have primarily been determined using single crystal X-ray diffraction. Features JAVA applets that can be used to orient and examine the molecule, and a dedicated Beowulf computer system to generate high quality rendered images. Currently contains over 2,500 molecules.
      http://www.iumsc.indiana.edu
      IRSLDB-Infrared and Raman Spectroscopy Literature Database
      Bibliography of infrared and Raman spectroscopy and its applications. Provides reference data (title, author(s), journal, page, date info.) collected from 123 journals, grouped into 129 classes.
      http://irsldb.pu-toyama.ac.jp/
      IUPAC Compendium of Chemical Terminology
      Also known as the IUPAC Gold Book. Searchable database of nearly 7000 IUPAC-approved definitions of chemical terms. IUPAC - The International Union of Pure and Applied Chemistry.
      http://www.chemsoc.org/goldbook
      IUPAC-NIST Solubility Data Series Database
      Comprising 11 volumes from the IUPAC Solubility Data Series liquids with liquids. A limited number of multi-component (organic-water-salt) systems are also included.
      http://srdata.nist.gov/solubility
      The IVC-SEP Data Bank for Electrolyte Solutions
      Contains more than 100,000 experimental points concerning the phase behavior and the thermal properties of aqueous solutions containing electrolytes and/or non-electrolytes.
      http://www.ivc-sep.kt.dtu.dk/databank/databank.asp
      JAICI
      JAICI is a not-for-profit scientific information service organization featuring, in particular, chemical expertise.
      http://www.jaici.or.jp/english/
      LiqCryst - Online
      Information about approximately 75000 compounds with liquid crystalline properties. Compound search is free, the compound data are fee based.
      http://liqcryst.chemie.uni-hamburg.de/en/lolas.php
      MALDI Database from NIST Polymers Division
      Database of methods, taken largely from the peer-review scientific literature, for matrix-assisted laser desorption ionization (MALDI) mass spectrometry of synthetic polymers.
      http://polymers.msel.nist.gov/maldirecipes/
      MDLI Information Systems
      Provider of chemical structural databases and information management software to the chemical, agrochemical, and pharmaceutical industry.
      http://www.mdli.com
      Munir's Pages
      Database containing experimental LogP values together with 2D and calculated 3D structures of more than 500 chemical compounds.
      http://www.essiz.net/muniressiz/chimie/chimie.php
      Nanogen Index 2
      Offers a book containing data on over 3000 pesticides and other environmental contaminants.
      http://www.nanogens.co.uk/
      NCI-3D Database
      A free database of more than 120000 substances with 2D and 3D information compiled from the National Cancer Institute. Searchable by substructure with free Chime plugin.
      http://chem.sis.nlm.nih.gov/nci3d/
      NIH Chemical Information
      Database of substances ranging from drugs to hazardous chemicals, maintained by the US National Library of Medicine, Bethesda, Maryland.
      http://sis.nlm.nih.gov/chemical.html
      NIST Chemistry WebBook
      Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.
      http://webbook.nist.gov/chemistry/
      Organic Reactions on Wiley InterScience
      Comprehensive database of important synthetic reactions, with all published examples of the topic reactions.
      http://www3.interscience.wiley.com/cgi-bin/mrwhome/107610747/HOME
      Organic Syntheses
      Describes checked and edited experimental procedures, spanning a broad range of synthetic methodologies. CrossRef(R) and Chemport(R) enabled reference linking.
      http://www3.interscience.wiley.com/cgi-bin/mrwhome/104554793/HOME
      Organic Syntheses
      Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
      http://orgsyn.org
      Organic Synthesis series
      All annual volumes of Organic Syntheses in ISIS/Base format. Checked and edited experimental synthetic procedures.
      http://www.exchemistry.com/orgsyntheses.html
      OSHA Search Page
      Database of documents produced by Occupational Safety and Health Administration, including analytical methods and chemical sampling information.
      http://www.osha.gov/pls/oshaweb/owasrch.full_site_search
      Polymer Database PoLyInfo
      Provides free access to data required in polymeric material design - structures, names, and properties of monomers and polymers, polymerization information.
      http://polymer.nims.go.jp/polyinfo_top_eng.htm
      PubChem
      Free database of chemical structures of small organic molecules and information on their biological activities. Linked with NIH PubMed/Entrez information retrieval system.
      http://pubchem.ncbi.nlm.nih.gov/
      Public Chromatography Applications Database
      Contains HPLC and GC applications provided by major vendors of chromatography equipment. Can be searched by numerous chromatographic parameters, as well as by structure, substructure, and structural similarity.
      http://www.chromdb.com
      Query Chem
      Chemical search engine powered by the Google Web API.
      http://llama.med.harvard.edu/~jklekota/QueryChem.html
      RADEN Data Bank
      Is designed for compilation of experimental researches and calculations of the RADiative and ENergy parameters defining the distribution of intensity in electronic and vibrational spectra of diatomic molecules.
      http://www.elch.chem.msu.ru/raden/
      Reciprocal Net
      Distributed database used by research crystallographers to store information about 3D molecular structures.
      http://www.reciprocalnet.org
      Risk Management Internet Services - Chemical Databases
      MSDS, toxicology profiles, chemical health hazards, chemical labeling requirements, TLVs, government lists of hazardous substances, pesticide information, storage compatibility, and chemical safety guides. Use of site requires paid subscription.
      http://www.rmis.com/db/dbchemicals.htm
      SDBS, Spectral Database for Organic Compounds
      Integrated spectral database system for organic compounds, which includes the following spectra - Electron Impact Mass (EI-MS), Fourier Transform Infrared (FT-IR), 1H and 13C NMR, Raman and Electron Spin Resonance (ESR).
      http://riodb01.ibase.aist.go.jp/sdbs/
      SOLV-DB
      A free database of commercially available solvents searchable by many properties. Compiled by National Center for Manufacturing Sciences.
      http://solvdb.ncms.org/
      Spectra databases for analytical laboratories
      ATR, FT IR, and Raman Spectra of chemicals and other compounds. Includes polymers, solvents, forensics, etc.
      http://www.stjapan.de
      SPRESIweb - InfoChem GmbH
      The new SpresiWeb developed by InfoChem is an integrated scientific database containing over 4.5 million molecules, 3.5 million reactions, 380,000 references, 98,000 patents covering years 1974 - 1999.
      http://www.infochem.de
      STM Data
      Data collections from Science, Technology and Medicine (STM): AntiBase (natural compound identifier), AmicBase (antimicrobial activity verifier), Mass Spectra (MS) of Pharmaceuticals and Agrochemicals, Infrared Spectra (IR) of Polymers.
      http://www.wiley-vch.de/stmdata/
      Structure Database of Chemicals with Pharmaceutical Activity
      Animations require the Chime plug-in to view. From Oxford University, UK.
      http://www.chem.ox.ac.uk/mom/chemical-database/
      Synthesis Reviews Database
      Free database of more than 16000 references to English review articles (from journals and books) of interest to synthetic organic chemists.
      http://www.thieme-chemistry.com/thieme-chemistry/journals/info/freedata/index.shtml
      Synthetic Pages
      Free interactive database of practical and reliable organic, organometallic and inorganic chemical syntheses submitted by synthetic chemists.
      http://www.syntheticpages.org/
      Thermodata
      Databases and software for thermochemistry.
      http://thermodata.online.fr/anglais.html
      WebReactions - Organic Reaction Retrieval System
      Free reaction search system offering direct retrieval of reaction precedents. Search based on reaction types and bonding change.
      http://webreactions.net
      Wiley Database of Polymer Properties
      Physical property data for polymers commercially available, with experimentally determined and selected data for over 2,500 polymers. Derived from the Polymer Handbook.
      http://www3.interscience.wiley.com/cgi-bin/mrwhome/104554802/HOME
      Wiley's Scientific, Technical and Medicinal Databases
      Databases covering spectroscopy (SpecInfo - NMR, MS, IR), compound chemistry (Organic Reactions, Organic Syntheses, EROS), materials properties, fundamental life sciences, and medicine.
      http://www3.interscience.wiley.com/browse/?type=DATABASE&titles=true
      ZINC
      Free database of over 2.7 million commercially-available compounds for virtual screening in ready-to-dock, 3D format.
      http://zinc.docking.org




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