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Related Concept Videos

Molecular Models02:00

Molecular Models

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.
Resonance and Hybrid Structures02:16

Resonance and Hybrid Structures

According to the theory of resonance, if two or more Lewis structures with the same arrangement of atoms can be written for a molecule, ion, or radical, the actual distribution of electrons is an average of that shown by the various Lewis structures.
Resonance Structures and Resonance Hybrids
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N–O and N=O bonds.
Structure of Benzene: Kekulé Model01:07

Structure of Benzene: Kekulé Model

In 1865, August Kekule suggested the structure of benzene according to the structural theory of organic chemistry based on the three assertions—formula of benzene is C6H6, all the hydrogens of benzene are equivalent, and each carbon must have four bonds due to its tetravalency.
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.
Structure of Benzene: Molecular Orbital Model01:18

Structure of Benzene: Molecular Orbital Model

According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
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...
Polymer Classification: Stereospecificity01:26

Polymer Classification: Stereospecificity

Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...

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Related Experiment Video

Updated: Jun 28, 2026

Modeling Ligands into Maps Derived from Electron Cryomicroscopy
09:30

Modeling Ligands into Maps Derived from Electron Cryomicroscopy

Published on: July 19, 2024

Modeling multi-typed structurally viewed chemicals with the UMLS Refined Semantic Network.

Ling Chen1, C Paul Morrey, Huanying Gu

  • 1Department of Science, BMCC, City University of New York, New York, NY, USA.

Journal of the American Medical Informatics Association : JAMIA
|October 28, 2008
PubMed
Summary

The Refined Semantic Network (RSN) was enhanced to accurately model chemical combinations, distinguishing between conjugates and complexes. This improved the Unified Medical Language System (UMLS) chemical content classification.

Related Experiment Videos

Last Updated: Jun 28, 2026

Modeling Ligands into Maps Derived from Electron Cryomicroscopy
09:30

Modeling Ligands into Maps Derived from Electron Cryomicroscopy

Published on: July 19, 2024

Area of Science:

  • Bioinformatics and Cheminformatics
  • Medical Informatics
  • Ontology Engineering

Background:

  • Ambiguous interpretation of chemical concepts with multiple semantic types (STs) in the Unified Medical Language System (UMLS).
  • Existing Refined Semantic Network (RSN) requires modification to differentiate chemical conjugates and complexes.

Purpose of the Study:

  • To modify the RSN to accurately model multi-typed chemical combinations, distinguishing between conjugates and complexes.
  • To enhance the classification of chemical concepts within the UMLS.

Main Methods:

  • Introduced new 'conjugate types' and 'complex types' within the RSN to explicitly denote chemical interaction nature.
  • Replaced ambiguous intersection semantic types (ISTs) with these new, specific types.
  • Refined the RSN with additional semantic relationships for the 'Chemical Viewed Structurally' ST.

Main Results:

  • Developed a modified RSN with 35 types, including 22 new conjugate and complex types.
  • Successfully assigned new types to approximately 98% (800) of multi-typed chemical concepts.
  • Identified errors in existing ST assignments and illegal ISTs within the UMLS.

Conclusions:

  • The modified RSN provides a more accurate and enhanced abstract view of UMLS chemical content.
  • The new type system improves the modeling of chemical combinations (conjugates and complexes).
  • This framework streamlines type assignments and enhances user understanding of UMLS chemical data.