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Top: Science: Chemistry: Chemical_Databases:

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  • CCOHS: Web Information Services Zapisz - Offers subscriptions to chemical databases as well as free access to Chemindex.
  • CHEMnetBASE Zapisz - 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.
  • CML Reference Collection Zapisz - Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
  • Chem Sources Zapisz - Supplier information for approximately 200000 chemical compounds. Searching for compounds and supplier information is fee based.
  • ChemBank Zapisz - 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.
  • ChemExpo Zapisz - News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
  • ChemIDplus Zapisz - 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.
  • ChemSpider Zapisz - Free chemistry search engine which aggregates and indexes chemical structures and their associated information into a single searchable repository.
  • Chemical Abstracts Service (CAS) Zapisz - 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.
  • DDBST - Dortmund Data Bank and DDB Software Package Zapisz - Database of thermodynamic and transport properties of pure components and mixtures for use in process design and development and related software package.
  • DETHERM Thermophysical Properties Zapisz - 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.
  • EaSI-Pro Zapisz - On-line, fee-based database of dangerous substances and (inter)national legislation on 200.000 chemicals.
  • FTIRsearch.com Zapisz - Search a database of 87,000 FTIR and Raman spectra using text or full spectral comparison. JAVA required.
  • Hazardous Chemical Database Zapisz - Contains names, formulas and registry numbers for 1991 hazardous chemicals. This site was last updated in 1996.
  • IRSLDB-Infrared and Raman Spectroscopy Literature Database Zapisz - 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.
  • IUPAC-NIST Solubility Data Series Database Zapisz - 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.
  • Indiana University Molecular Structure Center Zapisz - 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.
  • JAICI Zapisz - JAICI is a not-for-profit scientific information service organization featuring, in particular, chemical expertise.
  • LiqCryst - Online Zapisz - Information about approximately 75000 compounds with liquid crystalline properties. Compound search is free, the compound data are fee based.
  • MALDI Database from NIST Polymers Division Zapisz - Database of methods, taken largely from the peer-review scientific literature, for matrix-assisted laser desorption ionization (MALDI) mass spectrometry of synthetic polymers.
  • NCI-3D Database Zapisz - 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.
  • NIH Chemical Information Zapisz - Database of substances ranging from drugs to hazardous chemicals, maintained by the US National Library of Medicine, Bethesda, Maryland.
  • NIST Chemistry WebBook Zapisz - Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.
  • Nanogen Index 2 Zapisz - Offers a book containing data on over 3000 pesticides and other environmental contaminants.
  • Organic Reactions on Wiley InterScience Zapisz - Comprehensive database of important synthetic reactions, with all published examples of the topic reactions.
  • Organic Syntheses Zapisz - Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
  • Organic Syntheses Zapisz - Describes checked and edited experimental procedures, spanning a broad range of synthetic methodologies. CrossRef(R) and Chemport(R) enabled reference linking.
  • Organic Synthesis series Zapisz - All annual volumes of Organic Syntheses in ISIS/Base format. Checked and edited experimental synthetic procedures.
  • PubChem Zapisz - Free database of chemical structures of small organic molecules and information on their biological activities. Linked with NIH PubMed/Entrez information retrieval system.
  • Public Chromatography Applications Database Zapisz - 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.
  • Query Chem Zapisz - Chemical search engine powered by the Google Web API.
  • RADEN Data Bank Zapisz - 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.
  • Reciprocal Net Zapisz - Distributed database used by research crystallographers to store information about 3D molecular structures.
  • SDBS, Spectral Database for Organic Compounds Zapisz - 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).
  • SOLV-DB Zapisz - A free database of commercially available solvents searchable by many properties. Compiled by National Center for Manufacturing Sciences.
  • SPRESIweb - InfoChem GmbH Zapisz - 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.
  • STM Data Zapisz - 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.
  • Spectra databases for analytical laboratories Zapisz - ATR, FT IR, and Raman Spectra of chemicals and other compounds. Includes polymers, solvents, forensics, etc.
  • Structure Database of Chemicals with Pharmaceutical Activity Zapisz - Animations require the Chime plug-in to view. From Oxford University, UK.
  • Synthesis Reviews Database Zapisz - Free database of more than 16000 references to English review articles (from journals and books) of interest to synthetic organic chemists.
  • Synthetic Pages Zapisz - Free interactive database of practical and reliable organic, organometallic and inorganic chemical syntheses submitted by synthetic chemists.
  • The ChemExper Chemicals Directory Zapisz - A catalog of 60000 fine chemicals searchable for free using a chemist-friendly search engine.
  • Thermochemistry Resource Zapisz - Free database containing thermochemistry data for over 400 compounds relevant to high-temperature processes used in materials synthesis. Searching by molecular formula.
  • Thermodata Zapisz - Databases and software for thermochemistry.
  • WebReactions - Organic Reaction Retrieval System Zapisz - Free reaction search system offering direct retrieval of reaction precedents. Search based on reaction types and bonding change.
  • Wiley Database of Polymer Properties Zapisz - Physical property data for polymers commercially available, with experimentally determined and selected data for over 2,500 polymers. Derived from the Polymer Handbook.