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Science Chemistry Chemical Databases
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Please submit only sites where the main focus is based around chemical databases either commercial or non-commercial, ranging from petrochemicals through to chemical drugs.
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Supplier of advanced chemicals for high throughput screening, combinatorial chemistry, and other drug discovery applications. The chemical database is available online along with a full download in sdf format.
Offers subscriptions to chemical databases as well as free access to Chemindex.
A catalog of 60000 fine chemicals searchable for free using a chemist-friendly search engine.
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.
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.
Free chemistry search engine which aggregates and indexes chemical structures and their associated information into a single searchable repository.
Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
Database of thermodynamic and transport properties of pure components and mixtures for use in process design and development and related software package.
Database of FDA approved drugs with structures, chemical formula and approval dates.
News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
Collection of IUPAC databases covering agrochemicals, aqueous solutions, gas kinetics, solubility, stability constants, nomenclature, properties and units in Laboratory Medicine.
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.
A not-for-profit scientific information service organization featuring, in particular, chemical expertise.
Offers a book containing data on over 3000 pesticides and other environmental contaminants.
Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.
Comprehensive database of important synthetic reactions, with all published examples of the topic reactions.
Describes checked and edited experimental procedures, spanning a broad range of synthetic methodologies. CrossRef(R) and Chemport(R) enabled reference linking.
Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
All annual volumes of Organic Syntheses in ISIS/Base format. Checked and edited experimental synthetic procedures.
Free database of chemical structures of small organic molecules and information on their biological activities. Linked with NIH PubMed/Entrez information retrieval system.
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.
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.
Distributed database used by research crystallographers to store information about 3D molecular structures.
ATR, FT IR, and Raman Spectra of chemicals and other compounds. Includes polymers, solvents, forensics.
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.
Databases and software for thermochemistry.
Physical property data for polymers commercially available, with experimentally determined and selected data for over 2,500 polymers. Derived from the Polymer Handbook.
Database of FDA approved drugs with structures, chemical formula and approval dates.
Supplier of advanced chemicals for high throughput screening, combinatorial chemistry, and other drug discovery applications. The chemical database is available online along with a full download in sdf format.
A catalog of 60000 fine chemicals searchable for free using a chemist-friendly search engine.
Collection of IUPAC databases covering agrochemicals, aqueous solutions, gas kinetics, solubility, stability constants, nomenclature, properties and units in Laboratory Medicine.
A not-for-profit scientific information service organization featuring, in particular, chemical expertise.
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.
ATR, FT IR, and Raman Spectra of chemicals and other compounds. Includes polymers, solvents, forensics.
News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
Physical property data for polymers commercially available, with experimentally determined and selected data for over 2,500 polymers. Derived from the Polymer Handbook.
Describes checked and edited experimental procedures, spanning a broad range of synthetic methodologies. CrossRef(R) and Chemport(R) enabled reference linking.
Comprehensive database of important synthetic reactions, with all published examples of the topic reactions.
Free chemistry search engine which aggregates and indexes chemical structures and their associated information into a single searchable repository.
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.
Offers subscriptions to chemical databases as well as free access to Chemindex.
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.
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.
Offers a book containing data on over 3000 pesticides and other environmental contaminants.
Distributed database used by research crystallographers to store information about 3D molecular structures.
Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.
Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
Free database of chemical structures of small organic molecules and information on their biological activities. Linked with NIH PubMed/Entrez information retrieval system.
Database of thermodynamic and transport properties of pure components and mixtures for use in process design and development and related software package.
Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
All annual volumes of Organic Syntheses in ISIS/Base format. Checked and edited experimental synthetic procedures.
Databases and software for thermochemistry.
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.
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.

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Last update:
August 6, 2023 at 8:35:03 UTC
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