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Toxicology in Vitro : an International Journal Published in Association with BIBRA|March 23, 2022
Machine learning predictive classification models for the carcinogenic activity of activated metabolites derived from aromatic amines and nitroaromaticsAndrés Halabi, Elizabeth Rincón, Eduardo ChamorroThe Journal of Physical Chemistry. A|July 28, 2006
Reaction force analysis of the effect of Mg(II) on the 1,3 intramolecular hydrogen transfer in thymineElizabeth Rincón, Pablo Jaque, Alejandro Toro-LabbéJournal of Computer-Aided Molecular Design|July 1, 2026
Explainable QSAR models of 5-HT1A receptor ligands using conceptual DFT descriptors and no-code machine learning toolsFrancesca Cáceres, Andrés Halabi-Díaz, Elizabeth Rincón, et al.Physical Chemistry Chemical Physics : PCCP|May 18, 2007
Effect of Ni(ii), Cu(ii) and Zn(ii) association on the keto-enol tautomerism of thymine in the gas phaseElizabeth Rincón, Manuel Yáñez, Alejandro Toro-Labbé, et al.Journal of Chemical Information and Modeling|February 27, 2025
Predicting the Mutagenic Activity of Nitroaromatics Using Conceptual Density Functional Theory Descriptors and Explainable No-Code Machine Learning ApproachesAndrés Halabi Diaz, Mario Duque-Noreña, Elizabeth Rincón, et al.The Science of the Total Environment|March 18, 2025
Explainable no-code OECD-compliant machine learning models to predict the mutagenic activity of polycyclic aromatic hydrocarbons and their radical cation metabolitesAndrés Halabi Diaz, Mario Duque-Noreña, Elizabeth Rincón, et al.Journal of Environmental Health|February 13, 2013
Mutagenicity and genotoxicity of water treated for human consumption induced by chlorination by-productsElizabeth Rincón-Bedoya, Nelly Velásquez, Jairo Quijano, et al.Journal of Chemical Information and Modeling|November 11, 2024
Synergizing Machine Learning, Conceptual Density Functional Theory, and Biochemistry: No-Code Explainable Predictive Models for Mutagenicity in Aromatic AminesAndrés Halabi Diaz, Mario Duque-Noreña, Elizabeth Rincón, et al.Journal of Molecular Modeling|October 5, 2018
On the electron flow sequence driving the hydrometallation of acetylene by lithium hydrideEduardo Chamorro, Mario Duque-Noreña, Savaş Kaya, et al.The Journal of Organic Chemistry|April 16, 2020
A Close Look to the Oxaphosphetane Formation along the Wittig Reaction: A [2+2] Cycloaddition?Eduardo Chamorro, Mario Duque-Noreña, Nestor Gutierrez-Sánchez, et al.Pageof 2