Quimat - Cheminformatics and Materials (Quimat)
AuthID: I-000-BCW
Publications Actions
Publications at Authenticus Institutional Profile
An Authenticus institution (group) is an organization which consists of a set of researchers (institutional/group team). The set of researchers depends on the organizational structure of the institution per year and can be set at the institution profile, under ‘Researchers’ interface. Based on the institutional team we produce listings of publications, statistics and institutional reports.
Publications displayed at an Authenticus institutional profile depend on two parameters:
- Researchers team associated with the institution per year.
- Publications source type.
We define 3 types of publication sources:
- Validated by team members - includes all publications validated by team members. Requires the definition of the institutional team.
- All published by team members - includes all publications validated by the institution team members plus all not-validated (only identified) publications. Requires the definition of the institutional team.
- Affiliation Based - includes publications that have the institution/group in the publication affiliation. Does not require institutional team, but at the same time does not guarantee that all publications will be listed.
External
Internal
No data about last update.
Rules:
This actions updates publications citations of every team member.
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
No data about last update.
Rules:
This actions updates all pre print publications of the group/institution.
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Publications Count: 607
15 Team MembersFilters -> Year: 2024
1
TITLE: Data-driven, explainable machine learning model for predicting volatile organic compounds’ standard vaporization enthalpy Full Text
AUTHORS: José Ferraz-Caetano ; Filipe Teixeira; Natália D S Cordeiro;
PUBLISHED: 2024, SOURCE: Chemosphere, VOLUME: 359, PAGES: 142257
AUTHORS: José Ferraz-Caetano ; Filipe Teixeira; Natália D S Cordeiro;
PUBLISHED: 2024, SOURCE: Chemosphere, VOLUME: 359, PAGES: 142257
2
TITLE: Exploring hydrogen binding and activation on transition metal-modified circumcoronene
AUTHORS: Muellerova, Simona; Malcek, Michal; Bucinsky, Lukas; Cordeiro, Maria Natalia Dias Soeiro ;
PUBLISHED: 2024, SOURCE: CARBON LETTERS
AUTHORS: Muellerova, Simona; Malcek, Michal; Bucinsky, Lukas; Cordeiro, Maria Natalia Dias Soeiro ;
PUBLISHED: 2024, SOURCE: CARBON LETTERS
INDEXED IN: 
WOS
WOS3
TITLE: Glycerol conversion into added-value products on Ni-Cu based catalysts: Investigating mechanistic variations via catalyst modulation
AUTHORS: Fajin, Jose L. C.; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2024, SOURCE: MOLECULAR CATALYSIS, VOLUME: 561, PAGES: 114168
AUTHORS: Fajin, Jose L. C.; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2024, SOURCE: MOLECULAR CATALYSIS, VOLUME: 561, PAGES: 114168
4
TITLE: Machine Learning-Assisted Optimization of Drug Combinations in Zeolite-Based Delivery Systems for Melanoma Therapy
AUTHORS: Ana Raquel Bertão; Filipe Teixeira; Viktoriya Ivasiv; Pier Parpot; Cristina Almeida Aguiar; António Fonseca ; Manuel Bañobre López; Fátima Baltazar; Isabel Neves;
PUBLISHED: 2024, SOURCE: ACS Applied Materials and Interfaces, VOLUME: 16, ISSUE: 5, PAGES: 5696-5707
AUTHORS: Ana Raquel Bertão; Filipe Teixeira; Viktoriya Ivasiv; Pier Parpot; Cristina Almeida Aguiar; António Fonseca ; Manuel Bañobre López; Fátima Baltazar; Isabel Neves;
PUBLISHED: 2024, SOURCE: ACS Applied Materials and Interfaces, VOLUME: 16, ISSUE: 5, PAGES: 5696-5707
INDEXED IN: 
Scopus 
CrossRef
Scopus CrossRef5
TITLE: Navigating epoxidation complexity: building a data science toolbox to design vanadium catalysts Full Text
AUTHORS: José Ferraz-Caetano ; Teixeira, Filipe; Cordeiro, M. Natalia D. S.;
PUBLISHED: 2024, SOURCE: NEW JOURNAL OF CHEMISTRY, VOLUME: 48, ISSUE: 12, PAGES: 5097-5100
AUTHORS: José Ferraz-Caetano ; Teixeira, Filipe; Cordeiro, M. Natalia D. S.;
PUBLISHED: 2024, SOURCE: NEW JOURNAL OF CHEMISTRY, VOLUME: 48, ISSUE: 12, PAGES: 5097-5100
INDEXED IN: Scopus WOS 
Unpaywall
Scopus WOS Unpaywall6
TITLE: Navigating epoxidation complexity: building a data science toolbox to design vanadium catalysts Full Text
AUTHORS: José Ferraz-Caetano; Filipe Teixeira; Natália N D S Cordeiro ;
PUBLISHED: 2024, SOURCE: New Journal of Chemistry, VOLUME: 48, ISSUE: 12, PAGES: 5097-5100
AUTHORS: José Ferraz-Caetano; Filipe Teixeira; Natália N D S Cordeiro ;
PUBLISHED: 2024, SOURCE: New Journal of Chemistry, VOLUME: 48, ISSUE: 12, PAGES: 5097-5100
INDEXED IN: CrossRef
CrossRef7
TITLE: Probing the interface of choline chloride-based deep eutectic solvent ethaline with gold surfaces: A molecular dynamics simulation study
AUTHORS: Ferreira, Elisabete S. C.; Voroshylova, Iuliia V.; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2024, SOURCE: SURFACES AND INTERFACES, VOLUME: 46, PAGES: 104051
AUTHORS: Ferreira, Elisabete S. C.; Voroshylova, Iuliia V.; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2024, SOURCE: SURFACES AND INTERFACES, VOLUME: 46, PAGES: 104051
8
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, PAGES: 113909
AUTHORS: Fajin, Jose L. C. ; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2024, SOURCE: RENEWABLE & SUSTAINABLE ENERGY REVIEWS, VOLUME: 189, PAGES: 113909
9
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, PAGES: 263
AUTHORS: Mondal, Ismail; Halder, Amit Kumar; Pattanayak, Nirupam; Mandal, Sudip Kumar; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2024, SOURCE: PHARMACEUTICALS, VOLUME: 17, ISSUE: 2, PAGES: 263
10
TITLE: A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data Full Text
AUTHORS: Meneses, Joao; Gonzalez Durruthy, Michael ; Fernandez de Gortari, Eli; Toropova, Alla P.; Toropov, Andrey A.; Alfaro Moreno, Ernesto;
PUBLISHED: 2023, SOURCE: PARTICLE AND FIBRE TOXICOLOGY, VOLUME: 20, ISSUE: 1
AUTHORS: Meneses, Joao; Gonzalez Durruthy, Michael ; Fernandez de Gortari, Eli; Toropova, Alla P.; Toropov, Andrey A.; Alfaro Moreno, Ernesto;
PUBLISHED: 2023, SOURCE: PARTICLE AND FIBRE TOXICOLOGY, VOLUME: 20, ISSUE: 1
INDEXED IN: Scopus WOS
Scopus WOS11
TITLE: As raízes da regulação alimentar em Portugal: leis e práticas baseadas em ciência, 1875-1905 - The Roots of Food Regulation in Portugal: Science-Based Laws and Practices, 1875-1905
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2023, SOURCE: Ler História, ISSUE: 82, PAGES: 171-194
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2023, SOURCE: Ler História, ISSUE: 82, PAGES: 171-194
INDEXED IN: CrossRef
CrossRef12
TITLE: Biomolecular Fishing: Design, Green Synthesis, and Performance of L-Leucine-Molecularly Imprinted Polymers
AUTHORS: Furtado, Ana I.; Viveiros, Raquel; Bonifacio, Vasco D. B.; Melo, Andre ; Casimiro, Teresa;
PUBLISHED: 2023, SOURCE: ACS OMEGA, VOLUME: 8, ISSUE: 10, PAGES: 9179-9186
AUTHORS: Furtado, Ana I.; Viveiros, Raquel; Bonifacio, Vasco D. B.; Melo, Andre ; Casimiro, Teresa;
PUBLISHED: 2023, SOURCE: ACS OMEGA, VOLUME: 8, ISSUE: 10, PAGES: 9179-9186
13
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, PAGES: 62-75
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, PAGES: 62-75
14
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, PAGES: 1647-1650
AUTHORS: Kleandrova, Valeria V.; Cordeiro, Maria Natalia D. S. ; Speck Planche, Alejandro;
PUBLISHED: 2023, SOURCE: FUTURE MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 18, PAGES: 1647-1650
15
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, PAGES: 643-658
AUTHORS: Halder, Amit Kumar ; Mitra, Soumya; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2023, SOURCE: EXPERT OPINION ON DRUG DISCOVERY, VOLUME: 18, ISSUE: 6, PAGES: 643-658
16
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
AUTHORS: Iuliia V Voroshylova; Elisabete S C Ferreira; Natália N D S Cordeiro ;
PUBLISHED: 2023, SOURCE: Encyclopedia of Solid-Liquid Interfaces, VOLUME: 1-3
17
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
AUTHORS: José Ferraz-Caetano ; Teixeira, Filipe; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING
18
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, PAGES: 6379
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, PAGES: 6379
19
TITLE: Long-range communication between transmembrane- and nucleotide-binding domains does not depend on drug binding to mutant P-glycoprotein
AUTHORS: Bonito, Catia A.; Ferreira, Ricardo J.; Ferreira, Maria Jose U.; Gillet, Jean Pierre; Cordeiro, M. Natalia D. S. ; dos Santos, Daniel J. V. A.;
PUBLISHED: 2023, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 41, ISSUE: 23, PAGES: 14428-14437
AUTHORS: Bonito, Catia A.; Ferreira, Ricardo J.; Ferreira, Maria Jose U.; Gillet, Jean Pierre; Cordeiro, M. Natalia D. S. ; dos Santos, Daniel J. V. A.;
PUBLISHED: 2023, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 41, ISSUE: 23, PAGES: 14428-14437
20
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, PAGES: 1229-1266
AUTHORS: Lbadaoui Darvas, M; Garberoglio, G; Karadima, KS; Cordeiro, MNDS ; Nenes, A; Takahama, S;
PUBLISHED: 2023, SOURCE: MOLECULAR SIMULATION, VOLUME: 49, ISSUE: 12, PAGES: 1229-1266
