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

Introduction to Functional Groups02:08

Introduction to Functional Groups


Functional groups are group of atoms with specific chemical properties that occur within organic molecules and sometimes denoted as “R”. Functional groups are found along the carbon backbone of macromolecules can form chains or rings of carbon atoms. Functional groups can “functionalize” a compound by enabling it to adopt different physical and chemical properties.
Types of common functional groups
The table below summarizes some of the major functional groups in organic chemistry. (The...
Functional Groups02:45

Functional Groups

Functional groups are a group of atoms with characteristic properties, which when linked to the carbon skeleton of a molecule, alter the properties of that molecule. For example, the presence of certain functional groups on a molecule will make them hydrophilic, whereas others will make them hydrophobic. These functional groups are an indispensable part of organic chemistry and important components of biological molecules, such as carbohydrates, proteins, lipids, and nucleic acids. Each...
Functional Groups02:45

Functional Groups

Functional groups are a group of atoms with characteristic properties, which when linked to the carbon skeleton of a molecule, alter the properties of that molecule. For example, the presence of certain functional groups on a molecule will make them hydrophilic, whereas others will make them hydrophobic. These functional groups are an indispensable part of organic chemistry and important components of biological molecules, such as carbohydrates, proteins, lipids, and nucleic acids. Each...
Functional Groups02:45

Functional Groups

Functional groups are a group of atoms with characteristic properties, which when linked to the carbon skeleton of a molecule, alter the properties of that molecule. For example, the presence of certain functional groups on a molecule will make them hydrophilic, whereas others will make them hydrophobic. These functional groups are an indispensable part of organic chemistry and important components of biological molecules, such as carbohydrates, proteins, lipids, and nucleic acids. Each...
Overview of Advanced Functional Groups02:22

Overview of Advanced Functional Groups


Functional groups are groups of atoms with specific chemical properties that occur within organic molecules and are sometimes denoted as “R”. Functional groups can “functionalize” a compound by enabling it to adopt different physical and chemical properties.
Types of Advanced Functional Groups
The table below summarizes some of the major functional groups in organic chemistry.
Overview of Functional Groups01:19

Overview of Functional Groups

Functional groups are a group of atoms with characteristic properties, which when linked to the carbon skeleton of a molecule, alter the properties of that molecule. For example, certain functional groups will make a molecule hydrophilic, whereas others will make them hydrophobic. These functional groups are an indispensable part of organic chemistry and important components of biological molecules, such as carbohydrates, proteins, lipids, and nucleic acids. Each functional group is a unique...

You might also read

Related Articles

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

Sort by
Same author

Characterizing the Effect of Volume on Hydrodynamics of Plant Cell Suspensions Using CFD Modeling.

Biotechnology journal·2025
See all related articles

Related Experiment Video

Updated: May 12, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

Functional Groups Are All You Need for Chemically Interpretable Molecular Property Prediction.

Roshan Balaji1,2,3, Joe Bobby1,3, Nirav Pravinbhai Bhatt1,2,3,4

  • 1BioSystems Engineering and Control Lab, Department of Biotechnology, Indian Institute of Technology Madras, Chennai, Tamil Nadu 600036, India.

Journal of Chemical Information and Modeling
|May 11, 2026
PubMed
Summary

This study introduces a functional group representation (FGR) framework for deep learning models. FGR enhances molecular property prediction accuracy and interpretability for chemists.

More Related Videos

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

Related Experiment Videos

Last Updated: May 12, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

Area of Science:

  • Computational Chemistry
  • Machine Learning in Chemistry

Background:

  • Deep learning (DL) models accelerate discovery but often lack chemical interpretability.
  • This hinders the adoption of DL models by chemists in drug and materials science.

Purpose of the Study:

  • To develop interpretable and high-performing DL models for molecular property prediction.
  • Introduce a novel molecule representation framework based on chemical functional groups.

Main Methods:

  • Developed the functional group representation (FGR) framework.
  • Integrated curated functional groups (FG) and mined functional groups (MFG) using sequential pattern mining.
  • Utilized pretraining on unlabeled molecules to encode representations in a latent space.

Main Results:

  • Achieved state-of-the-art performance on 33 diverse benchmark datasets.
  • Demonstrated chemical interpretability, linking predictions to specific functional groups.
  • Showcased improved structure-property relationship insights.

Conclusions:

  • Incorporating chemical knowledge into DL models enhances both performance and interpretability.
  • The FGR framework provides chemically meaningful representations for property prediction.
  • This approach facilitates the adoption of DL by chemists in discovery.