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Related Concept Videos

IR Frequency Region: Fingerprint Region01:03

IR Frequency Region: Fingerprint Region

IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the C=O, C=N, and C=C occur between 1600–1850 cm−1.
The...
Long-patch Base Excision Repair01:02

Long-patch Base Excision Repair

Since the discovery of the two BER pathways, there has been a debate about how a cell chooses one pathway over the other and the factors determining this selection. Numerous in vitro experiments have pointed out multiple determinants for the sub-pathway selection. These are:
Fibronectins Connect Cells with ECM01:25

Fibronectins Connect Cells with ECM

Fibronectin is an adhesive glycoprotein present in the extracellular matrix of embryogenic and adult tissue. These molecules primarily aid in regulating cell motility and attachment. A fibronectin molecule is composed of two identical polypeptide chains attached to each other by a pair of disulfide bonds at the C-terminal.
Both proteoglycans and collagen are attached to fibronectin proteins, which, in turn, are attached to integrin proteins. These integrin proteins interact with transmembrane...
Anchoring Junctions01:03

Anchoring Junctions

Anchoring junctions are multiprotein complexes that help cells connect to other cells and the extracellular matrix. Anchoring junctions are present on the lateral and basal surfaces of cells, providing strong and flexible connections. Focal adhesions are often formed due to cell interactions with the ECM substrata, which initiate signal transduction via kinase cascades and other mechanisms. Together, they provide stability and tissue integrity. There are three types of anchoring junctions:...
Contact-dependent Signaling01:19

Contact-dependent Signaling

Contact-dependent signaling, as the name suggests, requires that communicating cells be in direct contact with each other. This is achieved either through receptor-ligand interactions or by specialized cytoplasmic channels that allow the flow of small molecules between cells. In animal cells, channels called gap junctions facilitate contact-dependent signaling in certain tissues, whereas, plasmodesmata perform a similar function in plants.
Gap Junctions
In animal cells, gap junctions are formed...
Selectins01:25

Selectins

Cell adhesion is  an essential aspect of multicellularity. While stable cell interactions usually occur between cells of the same type, transient cell interactions occur between cells of different tissue types, such as between neutrophils and endothelial cells. Selectins are one class of cell adhesion molecules (CAMs) that bind carbohydrate ligands to form transient cell adhesion. They are rod-like proteins with a long extracellular part of variable length ending with the lectin domain, which...

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Related Experiment Video

Updated: Jun 13, 2026

Using Informational Connectivity to Measure the Synchronous Emergence of fMRI Multi-voxel Information Across Time
07:12

Using Informational Connectivity to Measure the Synchronous Emergence of fMRI Multi-voxel Information Across Time

Published on: July 1, 2014

Extended-connectivity fingerprints.

David Rogers1, Mathew Hahn

  • 1drogers@unterhund.com

Journal of Chemical Information and Modeling
|April 30, 2010
PubMed
Summary
This summary is machine-generated.

Extended-connectivity fingerprints (ECFPs) offer rapid, interpretable molecular characterization for structure-activity modeling. These novel topological fingerprints capture diverse features, including stereochemistry, enhancing drug discovery insights.

Related Experiment Videos

Last Updated: Jun 13, 2026

Using Informational Connectivity to Measure the Synchronous Emergence of fMRI Multi-voxel Information Across Time
07:12

Using Informational Connectivity to Measure the Synchronous Emergence of fMRI Multi-voxel Information Across Time

Published on: July 1, 2014

Area of Science:

  • Computational chemistry
  • Cheminformatics
  • Drug discovery

Background:

  • Topological fingerprints historically aided substructure and similarity searching.
  • Molecular characterization is crucial for understanding structure-activity relationships (SAR).

Purpose of the Study:

  • To provide the first literature description of Extended-Connectivity Fingerprints (ECFPs) implementation.
  • To highlight the utility of ECFPs in structure-activity modeling.

Main Methods:

  • ECFPs are circular fingerprints capturing molecular features through iterative atom-centered calculations.
  • The algorithm allows for rapid calculation and representation of a vast array of molecular substructures.
  • ECFPs can incorporate stereochemical information.

Main Results:

  • ECFPs are rapidly calculated and can represent an infinite number of molecular features.
  • Features derived from ECFPs facilitate easier interpretation of SAR analysis.
  • The ECFP algorithm is adaptable for generating various fingerprint types optimized for specific applications.

Conclusions:

  • ECFPs provide a powerful and versatile tool for molecular characterization in SAR studies.
  • The implementation details of ECFPs are now available, supporting wider adoption and validation.
  • ECFPs enhance the interpretability and efficiency of cheminformatics analyses.