RaWaNet: Enriching Graph Neural Network Input via Random Walks on Graphs. - Anahita Iravanizad; Edgar Ivan Sanchez Medina; Martin Stoll (CoRR, 2021)

Gibbs-Helmholtz Graph Neural Network: capturing the temperature dependency of activity coefficients at infinite dilution. - Edgar Ivan Sanchez Medina; Steffen Linke; Martin Stoll; Kai Sundmacher (CoRR, 2022)

Graph neural networks for CO2 solubility predictions in Deep Eutectic Solvents. - Gabriel Hernández Morales; Edgar Ivan Sanchez Medina; Arturo Jiménez-Gutiérrez; Victor M. Zavala (Comput. Chem. Eng., 2024)

Graph Neural Networks embedded into Margules model for vapor-liquid equilibria prediction. - Edgar Ivan Sanchez Medina; Kai Sundmacher (CoRR, 2025)