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Related Concept Videos

Chemical Bonds02:40

Chemical Bonds


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.
Types of Chemical Bonds
An ionic bond is formed due to electrostatic attraction between cations and anions. Often, the ions are formed by the transfer of electrons from...
Effects of Chemicals: Overview01:27

Effects of Chemicals: Overview

Drugs, encompassing various chemical compounds from natural sources, lab synthesis, or genetic engineering, elicit different biological responses in living organisms. Some of these responses are desirable or therapeutic, while others are undesirable. The primary goal of administering a drug is to achieve a therapeutic effect, that is, to address a specific disease or health condition. Any concurrent effects outside of this therapeutic outcome are considered undesirable. These undesirable...
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 Symbols01:09

Chemical Symbols

A chemical symbol is an abbreviation that is used to indicate an element or an atom of an element. For example, the symbol for mercury is Hg. We use the same symbol to indicate one atom of mercury (microscopic domain) or to label a container of many atoms of the element mercury (macroscopic domain).
Some symbols are derived from the common name of the element; others are abbreviations of the name in another language. Most symbols have one or two letters, but three-letter symbols have been used...
Chemical Synapses01:26

Chemical Synapses

Chemical synapses are specialized sites between two neurons or between a neuron and a non-neuronal cell like a muscle, glandular or sensory cell.
Because chemical synapses depend on the release of neurotransmitter molecules from synaptic vesicles to pass on their signal, there is an approximately one millisecond delay between when the axon potential reaches the presynaptic terminal and when the neurotransmitter leads to opening of postsynaptic ion channels. Additionally, this signaling is...
Chemical Reactions in Aqueous Solutions03:03

Chemical Reactions in Aqueous Solutions

Chemical substances interact in many different ways. Certain chemical reactions exhibit common patterns of reactivity. Due to the vast number of chemical reactions, it becomes necessary to classify them based on the observed patterns of interaction.

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Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
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Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

Making SharePoint® Chemically Aware™.

Kartik Tallapragada1, Joseph Chewning, David Kombo

  • 1Targacept, Inc,, 200 East First Street, Suite 300, Winston-Salem, NC 27101-4165, USA. kartik.tallapragada@targacept.com.

Journal of Cheminformatics
|January 13, 2012
PubMed
Summary

This study introduces a Chemically Aware SharePoint (CASP) system, enhancing drug discovery by enabling intuitive chemical structure searches within large datasets. CASP improves content management and accelerates research efficiency for pharmaceutical and biotech companies.

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Area of Science:

  • Computational chemistry
  • Drug discovery informatics
  • Information management

Background:

  • SharePoint collaboration software is crucial for drug discovery content management.
  • The vast data in drug discovery necessitates advanced, chemically aware search capabilities.
  • Existing SharePoint search is limited for complex chemical information retrieval.

Purpose of the Study:

  • To develop and implement a Chemically Aware SharePoint (CASP) system.
  • To enhance SharePoint's content management with chemical intelligence.
  • To improve the efficiency and intuitiveness of drug discovery research.

Main Methods:

  • Integration of SharePoint with chemical, compound, and reaction databases.
  • Development of a graphical user interface (GUI) for chemical structure input.
  • Implementation of substructure, similarity, SMILES, and IUPAC name search functionalities.

Main Results:

  • CASP allows users to tag documents by drawing chemical structures.
  • Enables searching of SharePoint content and external databases using chemical queries.
  • Facilitates substructure searches on PDF documents containing molecular entities.

Conclusions:

  • CASP significantly enhances the efficiency of the drug discovery process.
  • Provides researchers with a more intuitive way to search and retrieve chemical information.
  • Improves access to previously hard-to-find information through molecular tagging and image recognition integration.