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The data includes a two-dimensional structure diagram and a smiles string for each compound. eMolecules supports fast substructure searching based on parts of the molecular structure. ChemExper is a commercial data base for molecular data. The search results include a two-dimensional structure diagram and a mole file for many compounds.
Chemical table file (CT file) is a family of text-based chemical file formats that describe molecules and chemical reactions. One format, for example, lists each atom in a molecule, the x-y-z coordinates of that atom, and the bonds among the atoms.
Array, a sequence of elements of the same type stored contiguously in memory; Record (also called a structure or struct), a collection of fields . Product type (also called a tuple), a record in which the fields are not named
Change in volume with increasing ethanol fraction. The molar volume of a substance i is defined as its molar mass divided by its density ρ i 0: , = For an ideal mixture containing N components, the molar volume of the mixture is the weighted sum of the molar volumes of its individual components.
Molar concentration or molarity is most commonly expressed in units of moles of solute per litre of solution. [1] For use in broader applications, it is defined as amount of substance of solute per unit volume of solution, or per unit volume available to the species, represented by lowercase c {\displaystyle c} : [ 2 ]
For a more comprehensive listing of data structures, see List of data structures. The comparisons in this article are organized by abstract data type . As a single concrete data structure may be used to implement many abstract data types, some data structures may appear in multiple comparisons (for example, a hash map can be used to implement ...
A data structure known as a hash table.. In computer science, a data structure is a data organization and storage format that is usually chosen for efficient access to data. [1] [2] [3] More precisely, a data structure is a collection of data values, the relationships among them, and the functions or operations that can be applied to the data, [4] i.e., it is an algebraic structure about data.
Data structure alignment is the way data is arranged and accessed in computer memory. It consists of three separate but related issues: data alignment , data structure padding , and packing . The CPU in modern computer hardware performs reads and writes to memory most efficiently when the data is naturally aligned , which generally means that ...