Alkaline Earth Metal Binding with N-Heterocyclic Carbenes: Machine Learning-Assisted Screening of Metal-Ligand Interactions

Saurabh Singh Negi; Puneet Gupta

doi:10.1039/d5cp04363h

January 1, 2026Physical Chemistry Chemical Physics

Alkaline Earth Metal Binding with N-Heterocyclic Carbenes: Machine Learning-Assisted Screening of Metal-Ligand Interactions

View Full Paper

Ask AI

Bookmark

Share

Key Points

The research aims to explore the efficiency of N-heterocyclic carbenes as ligands for binding with alkaline earth metals using machine learning techniques.
Utilized machine learning algorithms to analyze metal-ligand interactions.
Screened a range of N-heterocyclic carbenes for their binding efficiency with alkaline earth metals.
Evaluated the stability and σ-donating ability of the selected complexes.
Identified several N-heterocyclic carbenes with strong binding capabilities to alkaline earth metals.
Demonstrated the effectiveness of machine learning in predicting successful ligand interactions.

Ask about this paper

Answers are grounded in this paper and cite their sources.

Implication

Demonstrates machine learning-assisted screening of metal-ligand interactions in alkaline earth metals, highlighting effective ligand selection.

Abstract

N-heterocyclic carbenes (NHCs) are very versatile ligands known for their strong σ-donating ability and stability, making them suitable for forming complexes with alkaline earth metals (AEMs). In this study we...

Discussion

No takes yet. Share an insight, caveat, or question.

Cite This Study

Negi et al. (2026) studied this question.

synapsesocial.com/papers/69e07d1d2f7e8953b7cbe151 https://doi.org/10.1039/d5cp04363h

View Full Paper

Ask AI

Bookmark

Share

Alkaline Earth Metal Binding with N-Heterocyclic Carbenes: Machine Learning-Assisted Screening of Metal-Ligand Interactions

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

Alkaline Earth Metal Binding with N-Heterocyclic Carbenes: Machine Learning-Assisted Screening of Metal-Ligand Interactions

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

Keep reading

Keep reading