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TITLE: Applications of Predictive QSPR Modeling for Deep Eutectic Solvents
AUTHORS: Amit Kumar Halder; Natália D S Cordeiro ;
PUBLISHED: 2025, SOURCE: Challenges and Advances in Computational Chemistry and Physics, VOLUME: 41
INDEXED IN: Scopus CrossRef
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TITLE: Artificial Intelligence-Driven Modeling for Hydrogel Three-Dimensional Printing: Computational and Experimental Cases of Study  Full Text
AUTHORS: Bediaga Baneres, Harbil; Moreno Benitez, Isabel; Arrasate, Sonia; Perez alvarez, Leyre; Halder, Amit K. ; Cordeiro, M. Natalia D. S. ; Gonzalez Diaz, Humberto; Vilas Vilela, Jose Luis;
PUBLISHED: 2025, SOURCE: POLYMERS, VOLUME: 17, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef
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TITLE: In Silico Approach for Antibacterial Discovery: PTML Modeling of Virtual Multi-Strain Inhibitors Against Staphylococcus aureus  Full Text
AUTHORS: Kleandrova, Valeria V.; Cordeiro, M. Natalia D. S. ; Speck Planche, Alejandro;
PUBLISHED: 2025, SOURCE: PHARMACEUTICALS, VOLUME: 18, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
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TITLE: Machine learning-driven prediction of deep eutectic solvents’ heat capacity for sustainable process design
AUTHORS: Amit Kumar Halder ; Reza Haghbakhsh; Elisabete C Ferreira ; Ana Rita Duarte; Natália D S Cordeiro ;
PUBLISHED: 2025, SOURCE: Journal of Molecular Liquids, VOLUME: 418
INDEXED IN: Scopus CrossRef
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TITLE: Optimising Materials Properties with Minimal Data: Lessons from Vanadium Catalyst Modelling
AUTHORS: José Ferraz-Caetano; Filipe Teixeira; Natália D S Cordeiro ;
PUBLISHED: 2025, SOURCE: Challenges and Advances in Computational Chemistry and Physics, VOLUME: 39
INDEXED IN: Scopus CrossRef
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TITLE: Perturbation-Theory Machine Learning for Multi-Objective Antibacterial Discovery: Current Status and Future Perspectives
AUTHORS: Kleandrova, Valeria V.; Cordeiro, M. Natalia D. S. ; Speck Planche, Alejandro;
PUBLISHED: 2025, SOURCE: APPLIED SCIENCES-BASEL, VOLUME: 15, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef
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TITLE: Predicting mito-target interactions for per-and poly-fluoroalkyl compounds: Mapping mitochondrial toxicity on zebrafish voltage-dependent anion channel 2  Full Text
AUTHORS: Gonzalez Durruthy, Michael; Halder, Amit K.; Moura, Ana S.; Cordeiro, Natalia D. S. ;
PUBLISHED: 2025, SOURCE: AQUATIC TOXICOLOGY, VOLUME: 281
INDEXED IN: Scopus WOS CrossRef
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