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Related Concept Videos

Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

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.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
Chemical and Solubility Equilibria02:21

Chemical and Solubility Equilibria

The free energy change associated with dissolving a solute in a liter of solvent is called the free energy of a solution, ΔGsolution. The overall ΔGsolution is expressed as the balance of ΔGinteraction against the always-favorable free-energy of mixing, ΔGmixing. Solution formation is favorable if  ΔGsolution is less than zero, whereas it is unfavorable if ΔGsolution is greater than zero. In short, for a solution to form and complete dissolution to take place, the Gibbs energy change must be...
Chemical Equilibria: Systematic Approach to Equilibrium Calculations01:21

Chemical Equilibria: Systematic Approach to Equilibrium Calculations

Equilibrium calculations for systems involving multiple equilibria are often complex. For example, to calculate the solubility of a sparingly soluble salt in an aqueous solution in the presence of a common ion, one must consider all the equilibria in this solution. Calculations for these systems can be complicated and tedious, so a systematic approach with a series of steps is often helpful. The process is detailed below.
The first step is to identify all the chemical reactions involved, The...
Drug Discovery: Overview01:26

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...

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Related Experiment Video

Updated: May 17, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

Accessing and using chemical databases.

Nikolai Nikolov1, Todor Pavlov, Jay R Niemelä

  • 1National Food Institute Technical University of Denmark, Soeborg, Denmark.

Methods in Molecular Biology (Clifton, N.J.)
|October 23, 2012
PubMed
Summary

Chemical databases organize chemical structures and properties for efficient data processing. This review covers their structure, functionality, and types, including specific examples like OASIS and the Danish (Q)SAR Database.

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Last Updated: May 17, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
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Published on: June 6, 2025

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Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow

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Area of Science:

  • Chemistry
  • Computer Science
  • Bioinformatics

Background:

  • Chemical databases are essential for managing and processing chemical information.
  • These databases store chemical structures and associated properties, facilitating research and development.
  • Efficient data organization is crucial for various applications in chemistry and related fields.

Purpose of the Study:

  • To provide a comprehensive overview of chemical databases.
  • To discuss the structure, functionality, and types of information contained within chemical databases.
  • To highlight specific examples of chemical database resources.

Main Methods:

  • Review of existing literature and database resources.
  • Analysis of the structure and functionality of typical chemical databases.
  • Discussion of data types, search mechanisms, and access methods.

Main Results:

  • Chemical databases typically contain identification, structural, and associated data.
  • Key functionalities include efficient search, storage, retrieval, and dissemination of chemical information.
  • Examples of specialized databases such as OASIS and the Danish (Q)SAR Database were detailed.

Conclusions:

  • Chemical databases are indispensable tools for modern chemical research and information management.
  • Understanding database structure and functionality enhances data accessibility and utilization.
  • A variety of chemical database resources are available to support diverse scientific needs.