Friday, 21 October 2011

chemistry links 2

Hi this is my next good one for you

General Chemistry Information Sites

For a comprehensive list of Chemistry Web sites and resources on the Web, see the following sites

Chemistry Reference Databases

  • PubMed - provides information (free) on the Biological, Physical and Toxicology properties of small molecules.
  • CrossFire Chemical Information System Comprises CrossFire Beilstein organic chemistry database and the CrossFire Gmelin inorganic chemistry database. It is hosted by MIMAS and available to users at eligible UK institutions - site license required.
    CrossFire Beilstein contains nearlt 10 million compounds, around 10.5 million chemical reaction references, 35 million associated chemical, physical, and biological property records, and over 2 million abstracts and titles indexed from the primary organic chemical literature since 1980.
    CrossFire Gmelin contains more than 800 different chemical and physical data fields for around 2.5 million compounds, with 1.9 million reactions and 1.3 million citations including titles and abstracts from 1995.
  • WebElements is a high quality source of chemistry information on the WWW relating to the periodic table.
  • American Elements describes the research and uses of each of the elements, including properties, technical and safety data and research applications. Facts such as the atomic structure, ionization energy, abundance on Earth, conductivity and thermal properties are included as well as information on nanoparticles and salts of the elements such as Chlorides, Bromides, Iodides, Carbonates, Nitrates, Oxides and Sulfates plus solution data.
  • NIST Chemistry WebBook
    • Thermochemical data for over 5,000 organic and small inorganic compounds
    • Reaction thermochemistry data for over 8000 reactions
    • IR spectra for over 7,500 compounds
    • Mass spectra for over 10,000 compounds
    • Electronic/vibrational spectra for over 3,000 compounds
    • Constants of diatomic molecules (spectroscopic data) for over 600 compounds
    • Ion energetics data for over 14,000 compounds
    • Thermophysical property data for 16 fluids
    You can search for data on specific compounds in the Chemistry WebBook based on name, chemical formula, CAS registry number, molecular weight, or selected ion energetics and spectral properties.
    For a list of other Thermodynamic Data and Property Calculation Sites on the Web go to the Thermodynamics Research Laboratory site at the University of Illinois at Chicago.
  • The NIST Reference on Constants, Units and Uncertainty @ NIST US
  • BIDS RSC Databases
  • Cambridge Crystallographic Data Center (CCDC) @ Cambridge UK
  • Integrated Spectral Data Base System for Organic Compounds at the National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki, Japan
    Free access to a database of some 100,000 spectra (mainly IR, NMR and MS) of organic compounds.
  • The International Spectroscopic Data Bank. The IS-DB is a charitable society which has developed an electronic database and archive for spectroscopic and associated data. All scientists are encouraged to submit data to the IS-DB, which can then be shared with the rest of the scientific community who can access it free of charge.
  • NMRShiftDB NMRShiftDB is a web database for organic structures and their NMR spectra. It allows spectral searching and predicition and is freely available under an open content license.
  • Named Reactions
  • The Chemical Thesaurus - Designed to hold information on any process that can be described by a chemical equation of the type X -> Y or A + B -> C. The present free version is close to comprehensive with respect to: isotopes and major decay pathways, the periodic table, atomic ions, fundamental main group chemistry and fundamental organic chemistry expressed in terms of generic reactions. There are 100 hydrogen reactions and over 500 for water.
  • ILPI Material Safety Data SheetsIndex to find Material Safety Data Sheets on the Internet. lists around 100 sites including the ones below.
    • MSDS Online 2,000,000+ Material Safety Data Sheets. Approx 10,000 sheets are added each month. Free registration/login is required to view MSDSs.
    • MSDS Solutions 1,500,000 Material Safety Data Sheets. 60 free downloads per year for all users. Free registration/login is required to view the sheets which are available in a variety of MSDS formats (OSHA, ANSI, WHMIS) and file formats (HTML, PDF, text).
    • Material Safety Data Sheets @ Oxford UK
    • Material Safety Data Sheets at Sigma-Aldrich Nearly 90,000 material safety data sheets (MSDS) from the Sigma-Aldrich family of companies.
    • Hazardous chemical database (free access to nearly 2,000 hazardous chemicals based on a keyword search ).
  • Specialised Information Services
    • NCI-3D A database of 126,554 Substances with 2D and 3D information compiled from the National Cancer Institute, and augmented by MDL and Chime plugin.
    • ChemIDplus A database of 350,000 chemical records, including 56,000 with structures. Locator links allow immediate searching of other databases for information about a given chemical.
    • Hazardous Substances Databank Structures (HSDB) - A database of over 4,500 Substances with 2D structural information. These were compiled from the HSDB database on TOXNET (see below).
    • ChemID Search the original NLM ChemID chemical dictionary and other resources through NLM . This database does not contain structures.
  • National Library of Medicine have a number of database on toxicology, hazardous chemicals, and related areas. They include
    • Hazardous Substances Data Bank (HSDB)
    • Integrated Risk Information System (IRIS)
    • International Toxicity Estimates for Risk (ITER)
    • Chemical Carcinogenesis Research Information (CCRIS)
    • Genetic Toxicology (GENE-TOX)
    • Chemical Carcinogenesis Research Information System (CCRIS)
    as well as other TOXNET data.
  • IUPAC chemical nomenclature data base at Queen Mary College, London.
  • The Solvents Database (SOLVDB) developed in collaboration with the National Center for Manufacturing Sciences(NCMS). Contains data on the physical/chemical properties, environmental fate, health and safety, and regulations (137 data fields) of chemicals. It was designed to allow the user to view data on a particular solvent and to select alternatives by comparing data elements or by finding solvent substitutes in the database that meet the user's specifications.
  • Patents @ Delphion Intellectual Property Network. Free access to a wide variety of data collections and patent information including...
    • United States patents (1971-present, updated weekly)
    • European patents and patent applications (1979-present, updated weekly)
    • PCT application data from the World Intellectual Property Office (1990-present, updated weekly)
    • Patent Abstracts of Japan (1976-present, updated monthly)
    • INPADOC family and legal status data (1968-present, updated weekly)
    • IBM Technical Disclosure Bulletins
  • NIH Molecular Modelling Homepage @ NIH US
  • NMRWeb @ York UK
  • Protein Data Bank @ Brookhaven US
  • Heavy Metals @ INDIKATOR GmbH
  • Physical Chemistry American Chemical Society Division of Physical Chemistry Home Page
  • Reade Advanced Materials SuperSite Contains significant general reference, educational & safety information with over 650 industry links including a Sci-Tech Discount Bookstore.
  • MatWeb's database - includes thermoplastic and thermoset polymers such as ABS, nylon, polycarbonate, polyester, and polyolefins; metals such as aluminum, cobalt, copper, lead, magnesium, nickel, steel, superalloys, titanium and zinc alloys; ceramics; plus a growing list of semiconductors, fibers, and other engineering materials.
  • Molecule Library containing 170 common compounds in pdb format.
  • Network Science NetSci's list of Cheminformatics Software - includes Chemical DB, Reaction DB, Analysis, etc

Chemical Sources

  • Sigma-Aldrich Searchable Catalogue - Sigma, Aldrich, Fluka, Sigma Diagnostics, Supelco and RdH-Lab catalogues available plus 90,000 MSDS's.
  • ZINC Database - free database of commercially-available compounds for virtual screening. ZINC contains over 4.6 million compounds in ready-to-dock, 3D formats.
  • ChemExper Chemical Dictionary - search Suppliers Catalogues by formula, name, CAS number, catalog number, substructure or physical characteristics.
    Contains over 200,000 different chemicals, 10,000 MSDS and over 10,000 IR spectra.
  • CS ChemFinder WebServer - free searches (Chemical Name, CAS Number, Molecular Formula or Weight. ) with some restrictions.
  • ChemSources - from Chemical Sources International Inc. Approximately 200,000 compounds. Find any chemical product free of charge but then must set up an account to obtain your password to get the supplier information.
  • Gelest Inc. - searchable catalogue of Silanes, Silicones, Germanium, Tin, and Lead compounds, plus metal alkoxides, diketonates, and carboxylates, together with MSDS data.
  • Fine Chemicals - from SpectrumChemical.Com. Over 15,000 fine chemicals to choose from, they offer one of the largest assortments of fine and bulk chemicals available.

UK University Web Sites

Up to date lists of UK University Web Sites can be found at any of the following three sites:

Chemistry World-Wide Web Sites

General Interest Sites

ChemWeb
Offers a library of leading chemical journals, and databases, including substructure searchable databases and patents, The Alchemist, the ChemWeb magazine, A Shopping Mall with software, equipment, services and book publications, A worldwide Job Exchange with hundreds of job offers and jobs wanted and A fully searchable conference diary.
Royal Society of Chemistry
The Learned Society for chemistry and the Professional Body for chemists in the UK. The Society is a major publisher and provider of chemical information, supports the teaching of chemistry at all levels, organises hundreds of chemical meetings a year and is a leader in communicating science to the public.
Chemical Physics Preprint Database
This database is a joint effort by the Department of Chemistry at Brown University and the Theoretical Chemistry and Molecular Physics Group at the Los Alamos National Laboratory. It is intended to provide a means for rapid and efficient preprint distribution within the international chemical physics community. It has been made possible by funding from the Camille and Henry Dreyfus Foundation.
Computational Chemistry List
The home page for the computational chemistry list. It includes pointers to the list archives which can be searched.
The Internet Journal of Chemistry
This e-journal reports latest research findings; points to internet tools and resources for the chemical community; reviews www sites and provides an interactive debate and comment platform. Free until the end of 1998.
MIME Types for Chemistry
A proposal for defining a MIME type for chemistry, to allow for the transfer of molecule definitions, geometries, properties, etc.
SCARECROW (now gOpenMol) Information
A Description of the program SCARCROW which allows for the graphical display and analysis of molecular dynamics trajectories.
World Association of Theoretical Organic Chemists (WATOC)
A home page for WATOC includes information on past and future conferences.
XMol Information
Online user's guide to XMol, which is program for displaying 3D molecular models on an X11 display server.
Forensic Science Information
One of the largest actively maintained sites that lists every accredited school in forensic science plus other resources.


Other International Sites

Israel Chemistry Directory - includes databases, companies, government agencies, institutes of higher education, research centers, funds, associations, and conferences in Israel
College of Chemistry, University of California, Berkeley
Department of Chemistry, Free University of Berlin
Department of Chemistry and Biochemistry, University of California, Los Angeles
Chemistry Department at Brown University
Department of Chemistry, Indiana University-Purdue University Indianapolis
Department of Chemistry, Duke University
Department of Chemistry, University of Memphis
Department of Chemistry, University of Rhode Island
Chemistry Department, University of California, Davis
Department of Chemistry, Virginia Tech
Institute of Analytical Chemistry at the Vienna University of Technology
CMBI: Centre for Molecular and Biomolecular Informatics (formally CAOS/CAMM Center), The Netherlands

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