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Spectral Database for Organic Compounds National Institute of Advanced Industrial Science and Technology (AIST), Japan Organic compounds Spectra:IR Raman MASS ESR 1 H NMR 13 C NMR SDBS No curated "SDBS". 34,000 Serum Metabolome Database: The Metabolomics Innovation Centre: found in blood serum "Serum Metabolome DB". 4,651 Solvent Selection Tool
R&D Chemicals - Free compound search by chemical name, CAS Number, structure and substructure See also: PubChem , Entrez , PubMed , GenBank , Chemical database , CAS Registry Number , List of inorganic compounds , List of organic compounds , List of biomolecules , List of minerals , Inorganic compounds by element , Dictionary of chemical ...
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
database of protein similarities computed using FASTA: Protein model databases Swiss-model: server and repository for protein structure models Protein model databases AAindex: database of amino acid indices, amino acid mutation matrices, and pair-wise contact potentials Protein model databases BioGRID: Samuel Lunenfeld Research Institute
The Beilstein database is a database in the field of organic chemistry, in which compounds are uniquely identified by their Beilstein Registry Number.The database covers the scientific literature from 1771 to the present and contains experimentally validated information on millions of chemical reactions and substances from original scientific publications.
If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]
Reaxys is a web-based tool for the retrieval of information about chemical compounds and data from published literature, including journals and patents. The information includes chemical compounds, chemical reactions, chemical properties, related bibliographic data, substance data with synthesis planning information, as well as experimental procedures from selected journals and patents.
Free Steam Tables Online calculator based on IAPWS-IF97; FACT-Web programs Various on-line tools for obtaining thermodynamic data and making equilibrium calculations. Mol-Instincts A chemical database based on Quantum Mechanics and QSPR, providing thermodynamic properties for millions of compounds.