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Related Concept Videos

Virtual Work01:20

Virtual Work

1.4K
The principle of virtual work states that if a body is in static and dynamic equilibrium, then the sum of all the virtual work done by all external forces and couple moments for any given virtual displacement must be zero.
In static equilibrium, a body can experience an imaginary or virtual movement, such as displacement or rotation. The virtual work done by a force is equal to the dot product of force and virtual displacement in the direction of the force. When it comes to virtually rotating a...
1.4K
Chemical Formulas02:52

Chemical Formulas

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A chemical formula presents information about the proportions of atoms constituting a particular chemical compound or molecule, mainly using symbols of elements and numbers. At times other symbols, such as dashes, parentheses, brackets, commas, plus, and minus signs, are also used. A chemical formula can be one of three types – molecular, empirical, and structural.
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Chemical Equations03:10

Chemical Equations

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Chemical equations represent the identities and relative quantities of substances involved in a chemical reaction. The substances undergoing reaction are called reactants, and their formulas are placed on the left side of the equation. The substances generated by the reaction are called products, and their formulas are placed on the right side of the equation. Plus signs (+) separate individual reactant and product formulas, and an arrow (→) separates the reactant and product (left and right)...
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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.
Chemical Reactions Rearrange Atoms into New Substances
A chemical reaction takes starting materials—the reactants—and changes them...
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Principle of Virtual Work: Problem Solving01:13

Principle of Virtual Work: Problem Solving

1.7K
The principle of virtual work is an essential concept in the field of mechanics and engineering. This is used to solve problems related to the equilibrium of a structure or system. It is based on the assumption that if a system is in equilibrium, the work done by all the forces during a virtual displacement is zero. This principle is applied by considering virtual displacements of the system and the corresponding work done by internal and external forces.
To apply the principle of virtual work,...
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Types of Chemical Bonds02:37

Types of Chemical Bonds

94.4K
Chemical bonding theories were pioneered by American chemist Gilbert N. Lewis. He developed a model called the Lewis model to explain the type and formation of different bonds. Chemical bonding is central to chemistry; it explains how atoms or ions bond together to form molecules. It explains why some bonds are strong and others are weak, or why one carbon bonds with two oxygens and not three; why water is H2O and not H4O. 
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Updated: Feb 6, 2026

Haptic/Graphic Rehabilitation: Integrating a Robot into a Virtual Environment Library and Applying it to Stroke Therapy
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Virtual Chemical Libraries.

W Patrick Walters1

  • 1Relay Therapeutics , 215 First Street , Cambridge , Massachusetts 02142 , United States.

Journal of Medicinal Chemistry
|August 28, 2018
PubMed
Summary
This summary is machine-generated.

Researchers are creating vast virtual chemical libraries for drug discovery. These digital collections, though large, represent only a fraction of potential organic molecules, presenting challenges and opportunities.

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Area of Science:

  • Computational chemistry
  • Medicinal chemistry
  • Drug discovery

Background:

  • Exponential growth in computational power and data storage enables the creation of massive virtual chemical libraries.
  • Current virtual libraries, while containing billions of molecules, represent a small subset of all potentially synthesizable organic compounds.

Purpose of the Study:

  • To review recent advancements in the generation and application of virtual chemical libraries.
  • To discuss the practical impact of these libraries on drug discovery initiatives.
  • To identify current and future challenges in the field.

Main Methods:

  • Literature review of recent research in virtual library generation and utilization.
  • Analysis of the role of virtual libraries in medicinal chemistry and drug discovery programs.

Main Results:

  • Significant progress has been made in computational methods for generating diverse and large-scale virtual chemical libraries.
  • Virtual libraries are increasingly integrated into drug discovery workflows, aiding in hit identification and lead optimization.
  • Despite advances, challenges remain in library design, data management, and the accurate prediction of synthetic feasibility.

Conclusions:

  • Virtual chemical libraries are powerful tools in modern drug discovery, expanding the chemical space accessible to researchers.
  • Continued innovation in computational techniques and strategic library design is crucial for overcoming existing challenges and maximizing their utility.
  • The effective use of virtual libraries holds significant promise for accelerating the identification of novel therapeutic agents.