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TITLE: Perturbation Theory Machine Learning Model for Phenotypic Early Antineoplastic Drug Discovery: Design of Virtual Anti-Lung-Cancer Agents
AUTHORS: Kleandrova, Valeria V.; Cordeiro, M. Natalia D. S. ; Speck Planche, Alejandro;
PUBLISHED: 2024, SOURCE: APPLIED SCIENCES-BASEL, VOLUME: 14, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef: 3
23
TITLE: Renewable hydrogen production from biomass derivatives or water on trimetallic based catalysts  Full Text
AUTHORS: Fajin, Jose L. C. ; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2024, SOURCE: RENEWABLE & SUSTAINABLE ENERGY REVIEWS, VOLUME: 189
INDEXED IN: Scopus WOS CrossRef: 1
24
TITLE: Shaping the Future of Obesity Treatment: In Silico Multi-Modeling of IP6K1 Inhibitors for Obesity and Metabolic Dysfunction  Full Text
AUTHORS: Mondal, Ismail; Halder, Amit Kumar ; Pattanayak, Nirupam; Mandal, Sudip Kumar; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2024, SOURCE: PHARMACEUTICALS, VOLUME: 17, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef Unpaywall
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TITLE: Computational Modeling on Binding Interactions of Cyclodextrins with the Human Multidrug Resistance P-glycoprotein Toward Efficient Drug-delivery System Applications
AUTHORS: Michael González-Durruthy; Riccardo Concu ; Maria Natália Dias Soeiro Cordeiro ; Laura F Osmari Vendrame; Mirkos Ortiz Martins; Ivana Zanella; Juan Manuel Ruso;
PUBLISHED: 2023, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 23, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 3
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TITLE: Current in silico methods for multi-target drug discovery in early anticancer research: the rise of the perturbation-theory machine learning approach
AUTHORS: Kleandrova, Valeria V.; Cordeiro, Maria Natalia D. S. ; Speck Planche, Alejandro;
PUBLISHED: 2023, SOURCE: FUTURE MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 18
INDEXED IN: Scopus WOS CrossRef: 1
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TITLE: Designing multi-target drugs for the treatment of major depressive disorder
AUTHORS: Halder, Amit Kumar ; Mitra, Soumya; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2023, SOURCE: EXPERT OPINION ON DRUG DISCOVERY, VOLUME: 18, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 3
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TITLE: Electrical double layer in ionic liquids and deep eutectic solvents
AUTHORS: Iuliia V Voroshylova ; Elisabete S C Ferreira ; Natália N D S Cordeiro ;
PUBLISHED: 2023, SOURCE: Encyclopedia of Solid-Liquid Interfaces, VOLUME: 1-3
INDEXED IN: Scopus CrossRef Unpaywall
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TITLE: Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy  Full Text
AUTHORS: José Ferraz-Caetano ; Teixeira, Filipe; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING
INDEXED IN: Scopus WOS CrossRef: 8 Unpaywall
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TITLE: In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design
AUTHORS: Sar, Shuvam; Mitra, Soumya; Panda, Parthasarathi; Mandal, Subhash C.; Ghosh, Nilanjan; Halder, Amit Kumar ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2023, SOURCE: MOLECULES, VOLUME: 28, ISSUE: 17
INDEXED IN: Scopus WOS CrossRef: 1
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