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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: 1 Unpaywall
IN MY: ORCID
12
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
IN MY: ORCID
14
TITLE: Molecular simulations of interfacial systems: challenges, applications and future perspectives  Full Text
AUTHORS: Lbadaoui Darvas, M; Garberoglio, G; Karadima, KS; Cordeiro, MNDS ; Nenes, A; Takahama, S;
PUBLISHED: 2023, SOURCE: MOLECULAR SIMULATION, VOLUME: 49, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 11
IN MY: ORCID
15
TITLE: MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions  Full Text
AUTHORS: Concu, Riccardo ; Cordeiro, Maria Natalia Dias Soeiro ; Perez Perez, Martin; Fdez Riverola, Florentino;
PUBLISHED: 2023, SOURCE: MOLECULES, VOLUME: 28, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
16
TITLE: Multi-model in silico characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD
AUTHORS: Mitra, Soumya; Halder, Amit Kumar ; Ghosh, Nilanjan; Mandal, Subhash C.; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2023, SOURCE: COMPUTERS IN BIOLOGY AND MEDICINE, VOLUME: 157
INDEXED IN: Scopus WOS CrossRef
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17
TITLE: Optimizing drug discovery using multitasking models for quantitative structure-biological effect relationships: an update of the literature
AUTHORS: Kleandrova, Valeria V.; Cordeiro, M. Natalia D. S. ; Speck Planche, Alejandro;
PUBLISHED: 2023, SOURCE: EXPERT OPINION ON DRUG DISCOVERY, VOLUME: 18, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 2
IN MY: ORCID
20
TITLE: Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations
AUTHORS: Malaspina, Thaciana; V. Voroshylova, Iuliia ; Cordeiro, M. Natalia D. S. ; Fileti, Eudes Eterno;
PUBLISHED: 2023, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 390
INDEXED IN: Scopus WOS CrossRef: 5
IN MY: ORCID
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