Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Bioequivalence Data: Statistical Interpretation01:16

Bioequivalence Data: Statistical Interpretation

The statistical interpretation of bioequivalence data is a significant aspect of pharmaceutical research. Bioequivalence refers to the absence of any significant difference in the rate and extent to which the active ingredient in pharmaceutical products becomes available at the site of drug action when administered at the same molar dose under similar conditions. This helps determine if different drug products have similar absorption rates, ensuring their interchangeability.Statistical...
Evolutionary Relationships through Genome Comparisons02:54

Evolutionary Relationships through Genome Comparisons

Genome comparison is one of the excellent ways to interpret the evolutionary relationships between organisms. The basic principle of genome comparison is that if two species share a common feature, it is likely encoded by the DNA sequence conserved between both species. The advent of genome sequencing technologies in the late 20th century enabled scientists to understand the concept of conservation of domains between species and helped them to deduce evolutionary relationships across diverse...
Molecular Comparison of Gases, Liquids, and Solids02:26

Molecular Comparison of Gases, Liquids, and Solids

Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no regular arrangement (no fixed shape); in a gas, they are far apart with no regular arrangement (no fixed shape). Particles in a solid vibrate about fixed positions (cannot flow) and do not generally move in relation to one another; in a liquid, they move past each other (can flow) but remain in essentially constant contact; in a gas, they move...
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.
Causes of Similarity-Dissimilarity Effect01:26

Causes of Similarity-Dissimilarity Effect

The similarity-dissimilarity effect, a fundamental concept in social psychology, explains how interpersonal similarities and differences influence attraction and social interactions. This effect is supported by three key psychological perspectives: balance theory, social comparison theory, and consensual validation.Balance Theory and Cognitive ConsistencyBalance theory, developed by Fritz Heider, posits that individuals seek cognitive consistency in their relationships. When two people share...
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Predicting CO<sub>2</sub> injection profiles in heterogeneous reservoirs using a physics-aware deep learning framework.

Scientific reports·2026
Same author

Selective grazing in the heterotrophic dinoflagellate Oxyrrhis marina: Effects of prey type, size, temperature, and nutrient limitation.

Journal of phycology·2026
Same author

Retraction Note: Time-of-day immunochemotherapy in non-small cell lung cancer: a randomized phase 3 trial.

Nature medicine·2026
Same author

Treatment for intermediate and advanced-stage hepatocellular carcinoma: does systemic therapy synergize the therapeutic efficacy of TACE?

Frontiers in immunology·2026
Same author

Microbial community and functional characteristics across the water-sediment continuum in typical rivers of the Yellow River Delta.

Environmental research·2026
Same author

<i>FATP4</i> Switches Cellular Lipid Utilization via the PI3K-AKT Pathway in Goat Preadipocytes.

Animals : an open access journal from MDPI·2026

Related Experiment Video

Updated: May 17, 2026

CorrelationCalculator and Filigree: Tools for Data-Driven Network Analysis of Metabolomics Data
07:11

CorrelationCalculator and Filigree: Tools for Data-Driven Network Analysis of Metabolomics Data

Published on: November 10, 2023

Similarity coefficients for binary chemoinformatics data: overview and extended comparison using simulated and real

Roberto Todeschini1, Viviana Consonni, Hua Xiang

  • 1Milano Chemometrics and QSAR Research Group, Department of Environmental Sciences, University of Milano-Bicocca, Piazza della Scienza 1, 20126, Milano, Italy. roberto.todeschini@unimib.it

Journal of Chemical Information and Modeling
|October 20, 2012
PubMed
Summary

This study compared 51 similarity coefficients for chemical data. The Tanimoto coefficient is useful, but other coefficients also show promise for similarity-based virtual screening.

Related Experiment Videos

Last Updated: May 17, 2026

CorrelationCalculator and Filigree: Tools for Data-Driven Network Analysis of Metabolomics Data
07:11

CorrelationCalculator and Filigree: Tools for Data-Driven Network Analysis of Metabolomics Data

Published on: November 10, 2023

Area of Science:

  • Computational Chemistry
  • Cheminformatics

Background:

  • Binary fingerprints are crucial for representing chemical structures.
  • Numerous similarity coefficients exist for comparing these fingerprints, necessitating evaluation.

Purpose of the Study:

  • To analyze and compare 51 similarity coefficients for binary chemical fingerprints.
  • To assess their theoretical properties and effectiveness in virtual screening.

Main Methods:

  • Evaluated 51 similarity coefficients on simulated and real chemical datasets.
  • Compared coefficients using statistical analysis, multidimensional scaling, and Hasse diagrams.
  • Assessed performance in similarity-based virtual screening using MDDR, WOMBAT, and MUV data.

Main Results:

  • Identified redundant coefficients, reducing the set for analysis.
  • Demonstrated the general utility of the Tanimoto coefficient.
  • Highlighted other coefficients with potential for virtual screening applications.

Conclusions:

  • The Tanimoto coefficient remains a reliable choice for chemical similarity.
  • Several alternative coefficients warrant further investigation for enhanced virtual screening.