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  2. Chemical graph generator - Wikipedia

    en.wikipedia.org/wiki/Chemical_graph_generator

    These generators are the core of CASE systems. In a generator, the molecular formula is the basic input. If fragments are obtained from the experimental data, they can also be used as inputs to accelerate structure generation. The first structure generators were versions of graph generators modified for chemical purposes.

  3. Chemical formula - Wikipedia

    en.wikipedia.org/wiki/Chemical_formula

    A molecular formula enumerates the number of atoms to reflect those in the molecule, so that the molecular formula for glucose is C 6 H 12 O 6 rather than the glucose empirical formula, which is CH 2 O. However, except for very simple substances, molecular chemical formulae lack needed structural information, and are ambiguous.

  4. Template:Chem molar mass - Wikipedia

    en.wikipedia.org/wiki/Template:Chem_molar_mass

    This template calculates the molecular mass (or molar mass) of a chemical compound. It is designed to be embedded in infoboxes {{ Infobox drug }} and {{ Chembox }} , but it can be used in-line just as well.

  5. Structural formula - Wikipedia

    en.wikipedia.org/wiki/Structural_formula

    Skeletal structural formula of Vitamin B 12.Many organic molecules are too complicated to be specified by a molecular formula.. The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are possibly arranged in the real three-dimensional space.

  6. Molecular graph - Wikipedia

    en.wikipedia.org/wiki/Molecular_graph

    In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds.

  7. Formula - Wikipedia

    en.wikipedia.org/wiki/Formula

    A molecular formula enumerates the number of atoms to reflect those in the molecule, so that the molecular formula for glucose is C 6 H 12 O 6 rather than the glucose empirical formula, which is CH 2 O. Except for the very simple substances, molecular chemical formulas generally lack needed structural information, and might even be ambiguous in ...