Chemical Databases Chemistry Science


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.








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  • Hazardous Chemical Database - Contains names, formulas and registry numbers for 1991 chemistry hazardous chemicals. This site was last updated chemistry in 1996.
  • ChemBank - Initiative for Chemical Genetics. Freely available collection of science data about science small molecules (over 2000 compounds) and science resources for studying their science properties, especially their effects science on biology.
  • 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.
  • Structure Database of Chemicals with Pharmaceutical Activity - Animations require the Chime plug-in to view. From Oxford University, chemical databases UK.
  • Organic Syntheses - Describes checked and edited experimental procedures, spanning a chemical databases broad science range of synthetic methodologies. CrossRef(R) and Chemport(R) chemical databases enabled reference science linking.
  • IRSLDB-Infrared and Raman Spectroscopy Literature Database - Bibliography of infrared and Raman spectroscopy and its chemistry applications. Provides reference data (title, author(s), journal, page, chemistry date info.) collected from 123 journals, grouped into chemistry 129 classes.
  • Synthesis Reviews Database - Free database of more than 16000 references to chemistry English review science articles (from journals and books) of chemistry interest to synthetic organic science chemists.
  • Abstract Database from Rapra - Subscription based online library providing information to rubber, plastic, and science polymer industries.
  • Chemical Abstracts Service (CAS) - Provides pathways to published research in the world\\'s chemistry journal and chemistry patent literature through tools such as chemistry SciFinder, SciFinder Scholar and chemistry STN. CAS databases provide chemistry access to over 25 million documents, chemistry 26 million chemistry chemical substances, and 56 million sequ
  • Wiley's Scientific, Technical and Medicinal Databases - Databases covering spectroscopy (SpecInfo - NMR, MS, IR), chemistry compound chemistry (Organic Reactions, Organic Syntheses, EROS), materials chemistry properties, fundamental life sciences, and medicine.
  • Spectra databases for analytical laboratories - ATR, FT IR, and Raman Spectra of chemicals science and other compounds. Includes polymers, solvents, forensics, etc.
  • NIST Chemistry WebBook - Database of organic chemistry compounds, organized by science species. Contains chemical databases chemical and physical property data on science over 30,000 compounds.
  • ZINC - Free database of over 2.7 million commercially-available compounds chemical databases for virtual screening in ready-to-dock, 3D format.
  • NCI-3D Database - A free database of more than 120000 substances with 2D chemistry and 3D information compiled from the National Cancer Institute. Searchable chemistry by substructure with free Chime plugin.
  • Derwent World Patents Index - Comprehensive database of value-added patent documents. 1.5 million chemical databases patent documents from 41 patent-issuing authorities are added chemical databases into the database each year.
  • SPRESIweb - InfoChem GmbH - The new SpresiWeb developed by InfoChem is an chemical databases integrated scientific database containing over 4.5 million molecules, chemical databases 3.5 million reactions, 380,000 references, 98,000 patents chemical databases covering years 1974 - 1999.
  • Indiana University Molecular Structure Center - Small molecule database of structures that have primarily science been determined chemistry using single crystal X-ray diffraction. science Features JAVA applets that chemistry can be used to science orient and examine the molecule, and chemistry a dedicated science Beowulf computer system to generate high quality
  • Nanogen Index 2 - Offers a book containing data on over 3000 science pesticides and science other environmental contaminants.
  • LiqCryst - Online - Information about approximately 75000 compounds with liquid crystalline properties. Compound search is free, the compound data are fee based.
  • Public Chromatography Applications Database - Contains HPLC and GC applications provided by major vendors of science chromatography equipment. Can be searched by numerous chromatographic parameters, as science well as by structure, substructure, and structural similarity.
  • SDBS, Spectral Database for Organic Compounds - Integrated spectral database system for organic compounds, which includes the science following spectra - Electron Impact Mass (EI-MS), Fourier Transform Infrared science (FT-IR), 1H and 13C NMR, Raman and Electron Spin Resonance science (ESR).
  • OSHA Search Page - Database of documents produced by Occupational Safety and Health Administration, chemical databases including analytical methods and chemical sampling information.
  • FTIRsearch.com - Search a database of 87,000 FTIR and Raman chemistry spectra using chemical databases text or full spectral comparison. chemistry JAVA required.
  • Munir's Pages - Database containing experimental LogP values together with 2D chemical databases and calculated 3D structures of more than 500 chemical databases chemical compounds.
  • WebReactions - Organic Reaction Retrieval System - Free reaction search system offering direct retrieval of science reaction precedents. Search based on reaction types and science bonding change.
  • ChemIDplus - A free database of 350000 chemical compounds. Records chemical databases consist science of name, synonyms, CAS number, molecular formula, chemical databases and direct science links to biomedical resources. Included also chemical databases over 100000 structures. science Searchable by substructure with free chemical databases Chime plugin.
  • Fydat - Physical Property Database - Point properties and thermodynamic and transport properties of science over 500 chemistry common organic compounds and gases. Program science calculates mixture properties. Demo chemistry version available.
  • Chemical Kinetics and Thermochemistry Database for High-Temperature Materials Synthesis - Free database containing thermochemistry data for over 400 chemistry compounds relevant to high-temperature processes used in materials chemistry synthesis. Searching by molecular formula.
  • MALDI Database from NIST Polymers Division - Database of methods, taken largely from the peer-review chemistry scientific literature, chemistry for matrix-assisted laser desorption ionization (MALDI) chemistry mass spectrometry of synthetic chemistry polymers.
  • STM Data - Data collections from Science, Technology and Medicine (STM): chemical databases AntiBase science (natural compound identifier), AmicBase (antimicrobial activity verifier), chemical databases Mass Spectra science (MS) of Pharmaceuticals and Agrochemicals, Infrared chemical databases Spectra (IR) of science Polymers.
  • ChemExpo - News, stock reports, products, directories, classifieds, and profiles of commercially chemical databases available chemical products; focus reports;
  • Wiley Database of Polymer Properties - Physical property data for polymers commercially available, with science experimentally determined and selected data for over 2,500 science polymers. Derived from the Polymer Handbook.
  • Thermodata - Databases and software for thermochemistry.
  • RADEN Data Bank - Is designed for compilation of experimental science researches and calculations of the RADiative and science ENergy parameters defining the distribution of science intensity in electronic and vibrational spectra of science diatomic molecules.
  • ESIS: European chemical Substances Information System - Provides information on chemicals, related to: EINECS, ELINCS, chemistry HPVCs and chemical databases LPVCs, Classification and Labeling, IUCLID Chemical chemistry Data Sheets, Risk Assessment.
  • Query Chem - Chemical search engine powered by the Google Web science API.
  • CML Reference Collection - Commercial database of more than 120,000 3D molecular structures expressed chemistry in CML (Chemical Markup Language) format.
  • 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 ve
  • ChemSpider - Database of Chemical Structures and Property Predictions - ChemSpider is a free chemistry search engine which chemical databases aggregates and indexes chemical structures and their associated chemical databases information into a single searchable repository.
  • JAICI - JAICI is a not-for-profit scientific information service organization chemical databases featuring, in particular, chemical expertise.
  • SOLV-DB - A free database of commercially available solvents searchable by many chemistry properties. Compiled by National Center for Manufacturing Sciences.
  • PubChem - Free database of chemical structures of small organic chemical databases molecules chemistry and information on their biological activities. Linked chemical databases with NIH chemistry PubMed/Entrez information retrieval system.
  • Agency for Toxic Substances and Disease Registry - Searchable database for publications and resources about the chemical databases effect of hazardous substances on public health and chemical databases the environment.
  • Organic Synthesis series - All annual volumes of Organic Syntheses in ISIS/Base science format. Checked and edited experimental synthetic science procedures.
  • EuroSpec - International spectroscopic data bank and archive project for science spectroscopic and science associated data, from peer reviewed publications, science with link to the science chemical abstracts register.
  • Synthetic Pages - Free interactive database of practical and reliable organic, organometallic and chemical databases inorganic chemical syntheses submitted by synthetic chemists.
  • EaSI-Pro - On-line, fee-based database of dangerous substances and (inter)national legislation on 200.000 chemicals.
  • CCOHS: Web Information Services - Offers subscriptions to chemical databases as well as chemistry free access chemical databases to Chemindex.
  • NIH Chemical Information - Database of substances ranging from drugs to hazardous chemical databases chemicals, chemical databases maintained by the US National Library of chemical databases Medicine, Bethesda, chemical databases Maryland.
  • DETHERM Thermophysical Properties - Thermophysical properties of pure substances and mixtures. Phase science equilibrium data, chemical databases caloric data, critical data, transport properties, science electrolyte data. Data sets chemical databases with descriptors and bibliographic science references.
  • Organic Reactions on Wiley InterScience - Comprehensive database of important synthetic reactions, with all published examples chemistry of the topic reactions.
  • DDBST - Dortmund Data Bank and DDB Software Package - Database of thermodynamic and transport properties of pure components and chemical databases mixtures for use in process design and development and related chemical databases software package.
  • 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.
  • MDLI Information Systems - Provider of chemical structural databases and information management chemistry software to science the chemical, agrochemical, and pharmaceutical industry.
  • Chem Sources - Supplier information for approximately 200000 chemical compounds. science Searching for science compounds and supplier information is fee science based.
  • Reciprocal Net - Distributed database used by research crystallographers to store chemical databases information science about 3D molecular structures.
  • IUPAC-NIST Solubility Data Series Database - Comprising 11 volumes from the IUPAC Solubility Data Series liquids chemical databases with liquids. A limited number of multi-component (organic-water-salt) systems are chemical databases also included.


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