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  2. Wikipedia : Manual of Style/Chemistry/Structure drawing

    en.wikipedia.org/wiki/Wikipedia:Manual_of_Style/...

    ACD/ChemSketch is freeware available for personal, home, and educational use from ACDlabs.It has comprehensive chemical drawing features and can directly connect to PubChem, eMolecules and Chemspider to search these large databases by structure or substructure.

  3. PubChem - Wikipedia

    en.wikipedia.org/wiki/PubChem

    PubChem is a database of chemical molecules and their activities against biological assays. The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine , which is part of the United States National Institutes of Health (NIH).

  4. ACD/ChemSketch - Wikipedia

    en.wikipedia.org/wiki/ACD/ChemSketch

    ACD/ChemSketch allows for both basic structure drawing and importation of 3D and 2D .MDL files from other molecular modelling programs. ChemSketch has been favorably compared to other molecular modelling software, especially ChemDraw, based on its ability to display a wide range of structural components and the ease of creating complex structures quickly.

  5. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    WURCS GlycoCT PubChem CID G "Glycan Repository". 122194 Gmelin Gmelin database: Elsevier: inorganic and organometallic compounds closed access 1,500,000 G-SRS Global Substance Registration System: CAS PubChem ChEMBL INN UNII "G-SRS". 109,260 GMD Golm Metabolome Database GC/MS of metabolites "GMD". Guide to PHARMACOLOGY IUPHAR: drugs and targets

  6. Simplified Molecular Input Line Entry System - Wikipedia

    en.wikipedia.org/wiki/Simplified_Molecular_Input...

    SMILES generation algorithm for ciprofloxacin: break cycles, then write as branches off a main backbone. The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings.

  7. Chemical file format - Wikipedia

    en.wikipedia.org/wiki/Chemical_file_format

    The US National Institute of Health PubChem database is a huge source of chemical data. All of the data is in two-dimensions. Data includes SDF, SMILES, PubChem XML, and PubChem ASN1 formats. The worldwide Protein Data Bank [12] is an excellent source of protein and nucleic acid molecular coordinate data. The data is three-dimensional and ...

  8. Chemical database - Wikipedia

    en.wikipedia.org/wiki/Chemical_database

    Large databases, such as PubChem [11] [20] and ChemSpider, [21] have graphical interfaces for search. The Chemical Abstracts Service provides tools to search the chemical literature and Reaxys supplied by Elsevier covers both chemicals and reaction information, including that originally held in the Beilstein database . [ 22 ]

  9. File:Brexpiprazole.svg - Wikipedia

    en.wikipedia.org/wiki/File:Brexpiprazole.svg

    The following other wikis use this file: Usage on de.wikipedia.org Brexpiprazol; Usage on es.wikipedia.org Brexpiprazol; Usage on fa.wikipedia.org