102
TITLE: New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques  Full Text
AUTHORS: Ambure, P; Gajewicz Skretna, A; Cordeiro, MNDS ; Roy, K;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 44
IN MY: ORCID
103
TITLE: On the role of the surface charge plane position at Au(hkl)-BMImPF(6) interfaces  Full Text
AUTHORS: Iuliia V Voroshylova ; Meeri Lembinen; Heigo Ers; Maksim Misin; Volodymyr A Koverga; Carlos M Pereira ; Vladislav B Ivanistsev; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: ELECTROCHIMICA ACTA, VOLUME: 318
INDEXED IN: Scopus WOS CrossRef: 14
IN MY: ORCID
104
TITLE: Probing the Environmental Toxicity of Deep Eutectic Solvents and Their Components: An In Silico Modeling Approach
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: ACS SUSTAINABLE CHEMISTRY & ENGINEERING, VOLUME: 7, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 92
IN MY: ORCID
105
TITLE: PTML Model of Enzyme Subclasses for Mining the Proteome of Biofuel Producing Microorganisms  Full Text
AUTHORS: Riccardo Concu ; Natalia N D S Cordeiro ; Cristian R Munteanu; Humbert Gonzalez Diaz;
PUBLISHED: 2019, SOURCE: JOURNAL OF PROTEOME RESEARCH, VOLUME: 18, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef: 28
IN MY: ORCID
106
TITLE: QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models  Full Text
AUTHORS: Pravin Ambure; Amit Kumar Halder ; Humbert G Gonzalez Diaz; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 68
IN MY: ORCID
108
TITLE: Structural and energetic evolution of fibrinogen toward to the betablocker interactions  Full Text
AUTHORS: Michael Gonzalez Durruthy ; Gustavo Scanavachi; Ramon Rial; Zhen Liu; Natalia N D S Cordeiro ; Rosangela Itri; Juan M Ruso;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, VOLUME: 137
INDEXED IN: Scopus WOS CrossRef: 11
IN MY: ORCID
110
TITLE: A DFT and QTAIM study of the adsorption of organic molecules over the copper-doped coronene and circumcoronene  Full Text
AUTHORS: Michal Malcek; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, VOLUME: 95
INDEXED IN: Scopus WOS CrossRef: 15
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