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

Molecular Models02:00

Molecular Models

43.6K
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.
43.6K
Language01:16

Language

898
Language is a unique communication system that uses words and systematic rules to organize and transmit information. Unlike other forms of communication, which may involve postures, movements, odors, or vocalizations, language relies on symbols and grammar. This makes human communication distinct from that of other species, who also communicate but do not use language in the same way humans do.
Corballis and Suddendorf (2007) and Tomasello and Rakoczy (2003) highlight the role of language in...
898
Components of Language01:24

Components of Language

796
Language, whether spoken, signed, or written, consists of specific components: lexicon and grammar. The lexicon is the vocabulary of a language, comprising its words. Grammar is the set of rules used to convey meaning through the lexicon. For example, English grammar adds “-ed” to most verbs to indicate past tense. Words are formed by combining phonemes, which are the basic sound units of a language. Different languages have different sets of phonemes (e.g., “ah” vs.
796
Language Development01:22

Language Development

877
Children master language quickly and with relative ease, supported by both biological predisposition and reinforcement. B. F. Skinner (1957) proposed that language is learned through reinforcement, while Noam Chomsky (1965) argued that language acquisition mechanisms are biologically determined.
The critical period for language acquisition suggests that the ability to acquire language is at its peak early in life. As people age, this proficiency decreases. Language development begins very...
877
Language and Cognition01:27

Language and Cognition

741
Language serves as a bridge between ideas and communication, influencing how individuals perceive and interact with the world. Psychologists have long debated whether language shapes thought or vice versa. This discussion gained grip with Edward Sapir and Benjamin Lee Whorf in the 1940s, who proposed that language determines thought, a concept known as linguistic determinism. They suggested that the vocabulary and structure of a language influence how its speakers think and perceive reality.
741
Virtual Work01:20

Virtual Work

1.4K
The principle of virtual work states that if a body is in static and dynamic equilibrium, then the sum of all the virtual work done by all external forces and couple moments for any given virtual displacement must be zero.
In static equilibrium, a body can experience an imaginary or virtual movement, such as displacement or rotation. The virtual work done by a force is equal to the dot product of force and virtual displacement in the direction of the force. When it comes to virtually rotating a...
1.4K

You might also read

Related Articles

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

Sort by
Same author

Novel Dual Soft Drug Strategy Enables Development of Topical Androgen Receptor Antagonists with Enhanced Efficacy and Optimized Safety for Androgenetic Alopecia.

Journal of medicinal chemistry·2026
Same author

Small Molecules in Development for the Treatment of Sepsis: Insights into Drug Targets and Molecular Mechanisms.

Journal of medicinal chemistry·2026
Same author

Discovery of an Indole-Based p53-Y220C Reactivator with <i>In Vivo</i> Antitumor Activity via Structure-Guided Design.

Journal of medicinal chemistry·2026
Same author

A‑type potassium channels mediate the inhibitory effect of β‑hydroxybutyrate on CA1 pyramidal neurons in an immature mouse model of kainic acid‑induced status epilepticus.

Epilepsy research·2026
Same author

Regional homogeneity and interhemispheric connectivity alterations in major depressive disorder.

Asian journal of psychiatry·2026
Same author

The effects of rTMS over orbitofrontal cortex on cognitive functions in first-episode schizophrenia.

Psychological medicine·2026
Same journal

DeepDPM: A Deep Learning Method for MoRFs Prediction Based on Wavelet Transform and Dynamic Convolutional Attention Mechanism.

Journal of chemical information and modeling·2026
Same journal

Graph-Based Generation and Reduction of Complex Chemical Reaction Networks.

Journal of chemical information and modeling·2026
Same journal

Modeling the Sensitivity of Large-Scale Virtual Screening to Scoring Function Accuracy, Artifacts, and Library Composition.

Journal of chemical information and modeling·2026
Same journal

Machine Learning-Driven Discovery of Indole/Oxoindole-Piperazine Scaffolds as Dual MAO-B/Sig-1R Ligands for Neurodegenerative Disorders.

Journal of chemical information and modeling·2026
Same journal

Mapping Evolution of Molecules across Biochemistry with Assembly Theory.

Journal of chemical information and modeling·2026
Same journal

Structural Proteomics-Based Deciphering of Hydrophobic Packing Fingerprints Informing Protein Thermostability in TIM Barrels.

Journal of chemical information and modeling·2026
See all related articles

Related Experiment Video

Updated: Jan 24, 2026

Direct Imaging of Laser-driven Ultrafast Molecular Rotation
10:52

Direct Imaging of Laser-driven Ultrafast Molecular Rotation

Published on: February 4, 2017

10.1K

CoDrug: A Text-Driven Molecular Virtual Screening and Multiproperty Optimization Framework via Multimodal Language

Rui Gu1, Yingxu Liu1, Bingxing Zhu1

  • 1School of Science, China Pharmaceutical University, Nanjing 210009, China.

Journal of Chemical Information and Modeling
|January 22, 2026
PubMed
Summary
This summary is machine-generated.

CoDrug is a new AI framework for drug discovery that uses text and molecular structures. It accelerates virtual screening and molecular optimization, especially when 3D data is limited.

More Related Videos

Light-driven Molecular Motors on Surfaces for Single Molecular Imaging
08:40

Light-driven Molecular Motors on Surfaces for Single Molecular Imaging

Published on: March 13, 2019

12.0K
A Multimodal Imaging Framework to Advance Phenotyping of Living Label-free Breast Cancer Cells
10:37

A Multimodal Imaging Framework to Advance Phenotyping of Living Label-free Breast Cancer Cells

Published on: August 22, 2025

1.2K

Related Experiment Videos

Last Updated: Jan 24, 2026

Direct Imaging of Laser-driven Ultrafast Molecular Rotation
10:52

Direct Imaging of Laser-driven Ultrafast Molecular Rotation

Published on: February 4, 2017

10.1K
Light-driven Molecular Motors on Surfaces for Single Molecular Imaging
08:40

Light-driven Molecular Motors on Surfaces for Single Molecular Imaging

Published on: March 13, 2019

12.0K
A Multimodal Imaging Framework to Advance Phenotyping of Living Label-free Breast Cancer Cells
10:37

A Multimodal Imaging Framework to Advance Phenotyping of Living Label-free Breast Cancer Cells

Published on: August 22, 2025

1.2K

Area of Science:

  • Computational chemistry
  • Artificial intelligence in drug discovery
  • Bioinformatics

Background:

  • Traditional molecular screening is computationally expensive and relies on complete 3D protein structures.
  • Lack of reliable 3D structures hinders drug design.
  • Existing methods face limitations in speed and accessibility.

Purpose of the Study:

  • To introduce CoDrug, a multimodal fusion framework for AI-assisted drug discovery.
  • To overcome limitations of traditional methods by integrating text and structure data.
  • To enable text-driven virtual screening and molecular optimization.

Main Methods:

  • CoDrug uses multimodal fusion combining text (SciBERT, ChemFormer) and structural (ESM, ChemFormer) data.
  • Contrastive learning aligns textual and structural embeddings in a shared latent space.
  • Two fusion strategies: text-protein sequence and text-compound structure.

Main Results:

  • CoDrug achieves competitive or superior performance compared to state-of-the-art baselines.
  • The framework excels in zero-shot settings and when 3D structural data is incomplete.
  • Demonstrates strong generalization and representation expressiveness.

Conclusions:

  • CoDrug offers a scalable and flexible paradigm for early-stage drug discovery.
  • The natural language interface lowers the technical barrier for chemists.
  • Accelerates the integration of language-driven hypotheses with structure-guided molecular design.