Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

The Nucleosome Core Particle

The Nucleosome Core Particle

Nucleosomes are the DNA-histone complex, where the DNA strand is wound around the histone core. The histone core is an octamer containing two copies of H2A, H2B, H3, and H4 histone proteins.
The paradox
Nucleosomes, paradoxically, perform two opposite functions simultaneously. On the one hand, their main responsibility is to protect the delicate DNA strands from physical damage and help achieve a higher compaction ratio. While on the other hand, they must allow polymerase enzymes to access DNA...

Finding the Center of Gravity

Finding the Center of Gravity

The center of gravity of a body is an imaginary point where the body's total weight is assumed to be concentrated, and the body is perfectly balanced. The center of the mass of a body is a point at which the whole of the mass of the body appears to be concentrated. If the acceleration due to gravity, g, has the same value at all points on a body, its center of gravity is identical to its center of mass. The center of gravity of homogeneous bodies such as a sphere, cube, or rectangular plate...

Chemical Formulas

Chemical Formulas

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.

Respiratory System Abnormal Finding I: Inspection and Percussion

Respiratory System Abnormal Finding I: Inspection and Percussion

Respiratory system abnormalities are a significant concern in healthcare due to their potential to indicate underlying severe conditions like Chronic Obstructive Pulmonary Disease (COPD), asthma, and pneumonia. These abnormalities can often be detected through physical examination methods like inspection and percussion.
Inspection Findings
During an inspection, several findings may suggest the presence of respiratory distress or disease. Pursed-lip breathing, where exhalation is slowed by...

Cardiovascular System Abnormal Findings I: Inspection and Palpation

Cardiovascular System Abnormal Findings I: Inspection and Palpation

In a cardiovascular examination, inspection and palpation are crucial for identifying abnormalities.
Abnormal findings observed during an inspection

Finding Electric Potential From Electric Field

Finding Electric Potential From Electric Field

For a system of charges, it is easy to calculate the system's potential because potential is a scalar quantity. However, in some instances where calculating the electric field is more straightforward than finding the potential, the electric field is used to calculate the system's potential. For a positive charge, the electric field is radially outward, and the potential is positive at any finite distance from the positive charge. In such an electric field, the motion away from the...

You might also read

Related Articles

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

Sort by

Same author

5‑Nitrofuran-Semicarbazone Hybrids as Antitrypanosomal Agents: Structure-Activity Relationship and Nitroreductase Activation.

ACS medicinal chemistry letters·2026

Same author

CRUSH-Cleavage Rules Using SMIRKS Heuristics: an enhanced molecular fragmentation algorithm.

Journal of cheminformatics·2026

Same author

Structural diversity and chemical space analysis of a PROTAC database using unsupervised machine learning.

Scientific reports·2026

Same author

Chemical Space Exploration of a Database of Covalent Binders in the PDB.

Journal of chemical information and modeling·2026

Same author

The (r)evolution of chemical space and molecular modeling: a time-resolved perspective.

Journal of computer-aided molecular design·2026

Same author

On the pursuit of the true impact of our actions in science.

Frontiers in research metrics and analytics·2026

Search research articles

Related Experiment Video

Updated: Jan 21, 2026

Author Spotlight: Advancements in X-ray CT Tool Chain for Tree Core Analysis

Author Spotlight: Advancements in X-ray CT Tool Chain for Tree Core Analysis

Published on: September 22, 2023

Finding Constellations in Chemical Space Through Core Analysis.

J Jesús Naveja^1,2, José L Medina-Franco²

¹PECEM, School of Medicine, Universidad Nacional Autónoma de México, Mexico City, Mexico.

Frontiers in Chemistry

|August 6, 2019

Summary

This summary is machine-generated.

Constellation plots merge molecular representations for enhanced chemical space analysis. This method aids in identifying Structure-Activity Relationships (StARs) and discovering lead compounds in large datasets.

Keywords:

analog series data visualization descriptor scaffold structure-property relationships

More Related Videos

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

Published on: August 29, 2014

A Protocol for Collecting and Constructing Soil Core Lysimeters

A Protocol for Collecting and Constructing Soil Core Lysimeters

Published on: June 6, 2016

Related Experiment Videos

Last Updated: Jan 21, 2026

Author Spotlight: Advancements in X-ray CT Tool Chain for Tree Core Analysis

Author Spotlight: Advancements in X-ray CT Tool Chain for Tree Core Analysis

Published on: September 22, 2023

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

Published on: August 29, 2014

A Protocol for Collecting and Constructing Soil Core Lysimeters

A Protocol for Collecting and Constructing Soil Core Lysimeters

Published on: June 6, 2016

Area of Science:

Computational chemistry
Cheminformatics
Drug discovery

Background:

Visualizing and analyzing chemical space is crucial for drug discovery.
Existing methods may not fully capture complex molecular relationships.
Identifying Structure-Activity Relationships (StARs) in large datasets remains challenging.

Purpose of the Study:

To introduce constellation plots, a novel method for visualizing and analyzing chemical space.
To enhance the information derived from molecular representations.
To facilitate the identification of Structure-Activity Relationships (StARs) and lead compounds.

Main Methods:

Combining sub-structure based compound classification with coordinate-based chemical space representation.
Organizing compounds into analog series to form molecular groups or "constellations".
Applying the method to datasets of inhibitors for DNMTs and AKT1.

Main Results:

Constellation plots effectively merge diverse molecular representations.
The approach reveals distinct "constellations" of compounds in chemical space.
The method facilitates the rapid identification of interpretable Structure-Activity Relationships (StARs).

Conclusions:

Constellation plots offer a general and powerful approach for chemical space analysis.
This method is particularly useful for lead identification in large, unannotated datasets.
The visualization of StARs is improved, aiding in the interpretation of structure-activity data.