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Molecular structure generation is a branch of graph generation problems. [1] Molecular structures are graphs with chemical constraints such as valences, bond multiplicity and fragments. These generators are the core of CASE systems. In a generator, the molecular formula is the basic input.
A notable molecule editor is a computer program for creating and modifying representations of chemical structures.. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively.
XDrawChem is a free software program for drawing chemical structural formulas, ... Retrieval of structures from a network database based on CAS number, formula, or name;
ChemSpider served as the chemical compound repository as part of the Open PHACTS project, an Innovative Medicines Initiative. Open PHACTS developed to open standards, with an open access, semantic web approach to address bottlenecks in small molecule drug discovery - disparate information sources, lack of standards and information overload.
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 connected to one another. [1]
A formula editor is a computer program that is used to typeset mathematical formulas and mathematical expressions. Formula editors typically serve two purposes: They allow word processing and publication of technical content either for print publication, or to generate raster images for web pages or screen presentations.
The former are usually built from molecular modeling kits, consisting of a number of coil springs or plastic or wood sticks, and a number of plastic balls with pre-drilled holes. The sphere colors commonly follow the CPK coloring. Some university courses on chemistry require students to buy such models as learning material.
A chemical equation is the symbolic representation of a chemical reaction in the form of symbols and chemical formulas.The reactant entities are given on the left-hand side and the product entities are on the right-hand side with a plus sign between the entities in both the reactants and the products, and an arrow that points towards the products to show the direction of the reaction. [1]