Eduardo Chamorro

23PUBLICATIONS
35CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsTheoretical quantum chemistryPolymerisation mechanismsAdversarial machine learningMathematical aspects of general relativity
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (23)

|Jul 01, 2026
Explainable QSAR models of 5-HT1A receptor ligands using conceptual DFT descriptors and no-code machine learning tools.

|Jun 22, 2026
Beyond electronic stabilization: towards a multicomponent conceptual density-functional theory for positron-driven bonding.

|Mar 09, 2026
On the second-order functional structure of the chemical potential in conceptual density functional theory.

Eduardo Chamorro

|Feb 27, 2025
Predicting the Mutagenic Activity of Nitroaromatics Using Conceptual Density Functional Theory Descriptors and Explainable No-Code Machine Learning Approaches.

Andrés Halabi Diaz, Mario Duque-Noreña, Elizabeth Rincón

|Jan 13, 2025
Towards a unified fold-cusp model for bond polarity scaling: electron rearrangements in the pyrolytic isomerization of cubane to cyclooctatetraene.

Leandro Ayarde-Henríquez, Cristian Guerra, Patricia Pérez

|Nov 11, 2024
Synergizing Machine Learning, Conceptual Density Functional Theory, and Biochemistry: No-Code Explainable Predictive Models for Mutagenicity in Aromatic Amines.

Andrés Halabi Diaz, Mario Duque-Noreña, Elizabeth Rincón

Pageof 4

Frequent Collaborators

9 joint publications

Leandro Ayarde-Henríquez

5 joint publications

Cristian Guerra

3 joint publications

Andrés Halabi-Díaz

2 joint publications

Luis R Domingo