Chemical Databases
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- CCOHS: Web Information Services
- Offers subscriptions to chemical databases as well as free access to Chemindex.
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- 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.
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- CML Reference Collection
- Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
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- 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.
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- 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.
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- 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.
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- NIH Chemical Information
- Database of substances ranging from drugs to hazardous chemicals, maintained by the US National Library of Medicine, Bethesda, Maryland.
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- NIST Chemistry WebBook
- Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.
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- Nanogen Index 2
- Offers a book containing data on over 3000 pesticides and other environmental contaminants.
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- Organic Syntheses
- Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
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- Organic Synthesis series
- All annual volumes of Organic Syntheses in ISIS/Base format. Checked and edited experimental synthetic procedures.
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- PubChem
- Free database of chemical structures of small organic molecules and information on their biological activities. Linked with NIH PubMed/Entrez information retrieval system.
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- 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.
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- Reciprocal Net
- Distributed database used by research crystallographers to store information about 3D molecular structures.
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- 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.
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- Spectra databases for analytical laboratories
- ATR, FT IR, and Raman Spectra of chemicals and other compounds. Includes polymers, solvents, forensics, etc.
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- The ChemExper Chemicals Directory
- A catalog of 60000 fine chemicals searchable for free using a chemist-friendly search engine.
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- WebReactions - Organic Reaction Retrieval System
- Free reaction search system offering direct retrieval of reaction precedents. Search based on reaction types and bonding change.
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- ZINC
- Free database of over 2.7 million commercially-available compounds for virtual screening in ready-to-dock, 3D format.
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