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Science: Chemistry: Chemical_Databases

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Abstract Database from Rapra
Subscription based online library providing information to rubber, plastic, and polymer industries.

Acronym and Abbreviations Database
About 13000 acronyms and abbreviations related to chemistry.

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.

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.

Web access to health and safety databases covering over 185000 chemical substances. Provided by Canadian Centre for Occupational Health (CCOHS). Free access to CHEMINFO database.

Chem Sources-Online
Supplier information for approximately 200000 chemical compounds. Searching for compounds is free, the supplier information is fee based.

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.

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.

News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;

Chemfinder Chemical Directory
Directory of chemicals, physical properties, and Internet links.

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.

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.

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.

Online access to major chemical reference works from Chapman & Hall/CRC including Combined Chemical Dictionary (CCD), The Handbook of Chemistry & Physics, Polymers: A Property Database, Properties of Organic Compounds.

Database of organic compounds that have been identified in petroleum materials. Includes chromatographic separations, mass spectra, chemical structures, molecular weight, etc.

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.

CML Reference Collection
Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.

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.

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.

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.

DIPPR (Design Institute for Physical Property Data) Project 801
Compilation of reliable physical, thermodynamic, and transport properties for 1,793 industrially important chemical compounds with 44 properties. The database is sponsored by AIChE.

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.

Engineering Chemistry Databases
The largest numeric database system in China for chemical, petrochemical, metallurgical industries. Provides experimental data, reference information. Can also perform data estimation.

ESIS: European chemical Substances Information System
Provides information on chemicals, related to: EINECS, ELINCS, HPVCs & LPVCs, Classification and Labeling, IUCLID Chemical Data Sheets, Risk Assessment.

International spectroscopic data bank and archive project for spectroscopic and associated data, from peer reviewed publications, with link to the chemical abstracts register.
Search a database of 87,000 FTIR and Raman spectra using text or full spectral comparison. JAVA required.

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.

Hazardous Chemical Database
Contains names, formulas and registry numbers for 1991 hazardous chemicals. This site was last updated in 1996.

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.

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.

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.

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.

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.

JAICI is a not-for-profit scientific information service organization featuring, in particular, chemical expertise.

LiqCryst - Online
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
Database of methods, taken largely from the peer-review scientific literature, for matrix-assisted laser desorption ionization (MALDI) mass spectrometry of synthetic polymers.

MDLI Information Systems
Provider of chemical structural databases and information management software to the chemical, agrochemical, and pharmaceutical industry.

Munir's Pages
Database containing experimental LogP values together with 2D and calculated 3D structures of more than 500 chemical compounds.

Nanogen Index 2
Offers a book containing data on over 3000 pesticides and other environmental contaminants.

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.

NIST Chemistry WebBook
Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.

Organic Reactions on Wiley InterScience
Comprehensive database of important synthetic reactions, with all published examples of the topic reactions.

Organic Syntheses
Describes checked and edited experimental procedures, spanning a broad range of synthetic methodologies. CrossRef(R) and Chemport(R) enabled reference linking.

Organic Syntheses
Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.

Organic Synthesis series
All annual volumes of Organic Syntheses in ISIS/Base format. Checked and edited experimental synthetic procedures.

OSHA Search Page
Database of documents produced by Occupational Safety and Health Administration, including analytical methods and chemical sampling information.

Polymer Database PoLyInfo
Provides free access to data required in polymeric material design - structures, names, and properties of monomers and polymers, polymerization information.

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
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
Chemical search engine powered by the Google Web API.

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.

Reciprocal Net
Distributed database used by research crystallographers to store information about 3D molecular structures.

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.

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).

A free database of commercially available solvents searchable by many properties. Compiled by National Center for Manufacturing Sciences.

Provider of chemical compound library's for HTS in vials or plates.

Spectra databases for analytical laboratories
ATR, FT IR, and Raman Spectra of chemicals and other compounds. Includes polymers, solvents, forensics, etc.

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.

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.

Structure Database of Chemicals with Pharmaceutical Activity
Animations require the Chime plug-in to view. From Oxford University, UK.

Synthesis Reviews Database
Free database of more than 16000 references to English review articles (from journals and books) of interest to synthetic organic chemists.

Synthetic Pages
Free interactive database of practical and reliable organic, organometallic and inorganic chemical syntheses submitted by synthetic chemists.

Databases and software for thermochemistry.

WebReactions - Organic Reaction Retrieval System
Free reaction search system offering direct retrieval of reaction precedents. Search based on reaction types and bonding change.

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.

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.

Free database of over 2.7 million commercially-available compounds for virtual screening in ready-to-dock, 3D format.


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