Ongoing Supervisions
Projects
Publications
Open-source generation of sigma profiles: impact of quantum chemistry and solvation treatment on machine learning performance
Salih, FYM; Abranches, DO; Maginn, EJ; Colón, YJ
2025, DIGITAL DISCOVERY, 4, 10.
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Stochastic machine learning via sigma profiles to build a digital chemical space
Abranches, DO; Maginn, EJ; Colón, YJ
2024, Proceedings of the National Academy of Sciences of the United States of America, 121, 31.
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Combining High Throughput Experiments and Active Learning to Characterize Deep Eutectic Solvents
D. O. Abranches, W. Dean, M. Muñoz, W. Wang, Y. Liang, B. Gurkan, E. J. Maginn, Y. J. Colón
2024, ACS Sustainable Chemistry & Engineering.
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Tetraalkylammonium Chlorides as Melting Point Depressants of Ionic Liquids
Martins, MAR; Abranches, DO; Silva, LP; Pinho, SP; Coutinho, JAP
2024, JOURNAL OF SOLUTION CHEMISTRY, 53, 4, 538-551.
ISBN:
1572-8927
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Using Molecular Conformers in COSMO-RS to Predict Drug Solubility in Mixed Solvents
Cordova, IW; Teixeira, G; Ribeiro-Claro, PJA; Abranches, DO; Pinho, SP; Ferreira, O; Coutinho, JAP
2024, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 63, 21, 9565-9575.
ISBN:
1520-5045
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Role of Deep Eutectic Solvent Precursors as Hydrotropes: Unveiling Synergism/Antagonism for Enhanced Kraft Lignin Dissolution
Sosa, FHB; Abranches, DO; Lopes, AMD; da Costa, MC; Coutinho, JAP
2024, ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 12, 23, 8930-8940.
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Designing type V deep eutectic solvents with antimalarial pharmaceutical ingredients
Teixeira, G; Brandao, P; Ferreira, AIMCL; Abranches, DO; Santos, LMNBF; Ferreira, O; Coutinho, JAP
2024, EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS, 203.
ISBN:
1873-3441
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What is better to enhance the solubility of hydrophobic compounds in aqueous solutions: eutectic solvents or ionic liquids?
Ferreira, O; Silva, LP; Almeida, HHS; Benfica, J; Abranches, DO; Pinho, SP; Coutinho, JAP
2024, RSC SUSTAINABILITY, 2, 12, 4052-4060.
ISBN:
2753-8125
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Assessing Melting and Solid-Solid Transition Properties of Choline Chloride via Molecular Dynamics Simulations
Correa, GB; Abranches, DO; Marin-Rimoldi, E; Zhang, Y; Maginn, EJ; Tavares, FW
2024, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 15, 47, 11801-11805.
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The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert-butanol plus perfluoro tert-butanol
Vaz, ICM; Ferreira, AIMCL; Silva, GMC; Morgado, P; Abranches, DO; Bastos, M; Santos, LMNBF; Filipe, EJM; Coutinho, JAP
2023, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25, 16, 11227-11236.
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Thermodynamics-Informed Machine Learning for the Design of Sustainable Materials: The Dawn of Digital Molecular Discovery
Abranches, DO
2024, supervised by Maginn, EJ; Colón, YJ.
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Unveiling the Mechanism of Hydrotropy: Towards a Sustainable Future
Abranches, DO
2020, supervised by Coutinho, JAP; Shimizu, S.
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