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Related Concept Videos

Chemical Reactions01:19

Chemical Reactions

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A chemical reaction is a process by which the bonds in the atoms of substances are rearranged to generate new substances. Matter cannot be created or destroyed in a chemical reaction—the same type and number of atoms that make up the reactants are still present in the products. Merely, the rearrangement of chemical bonds produces new compounds.
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Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
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Atoms participate in a chemical bond formation to acquire a completed valence-shell electron configuration similar to that of the noble gas nearest to it in atomic number. Ionic, covalent, and metallic bonds are some of the important types of chemical bonds. Bond energy and bond length determine the strength of a chemical bond.
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A balanced chemical equation provides the information of chemical formulas of the reactants and products involved in the chemical change. A reaction’s stoichiometry helps predict how much of the reactant is needed to produce the desired amount of product, or in some cases, how much product will be formed from a specific amount of the reactant.
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Chemical Bonds
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In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
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Modeling an Enzyme Active Site using Molecular Visualization Freeware
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InChI: connecting and navigating chemistry.

Antony J Williams1

  • 1Royal Society of Chemistry, US Office, 904 Tamaras Circle, Wake Forest, NC, 27587, USA. williamsa@rsc.org.

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|December 14, 2012
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Summary
This summary is machine-generated.

The International Chemical Identifier (InChI) revolutionizes chemical data management by enabling deduplication and linking across databases. This technology is crucial for navigating the vast amount of online chemistry information.

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Area of Science:

  • Cheminformatics
  • Chemical Information Science
  • Data Management

Background:

  • The exponential growth of online chemical information necessitates robust data management tools.
  • The International Chemical Identifier (InChI) provides a standardized method for representing chemical structures.
  • Linking disparate chemical datasets is a significant challenge in modern research.

Purpose of the Study:

  • To highlight the impact and value of the International Chemical Identifier (InChI) in cheminformatics.
  • To demonstrate InChI's role as an enabling technology for chemical data.
  • To showcase the continuing importance of InChI for linking chemistry data.

Main Methods:

  • Aggregation of contributions demonstrating InChI's utility.
  • Analysis of InChI's application in deduplicating and validating chemical compounds.
  • Review of InChI's role in linking chemical information across databases.

Main Results:

  • InChI has significantly improved the ability to deduplicate and validate chemical compounds.
  • InChI facilitates the linking of chemical information, enhancing data discoverability.
  • The contributions collectively underscore InChI's value in managing online chemical data.

Conclusions:

  • The International Chemical Identifier (InChI) is a vital tool for modern cheminformatics.
  • InChI's ability to link chemical data is essential for navigating the digital chemistry landscape.
  • Continued development and application of InChI will further enhance chemical data integration.