Overproduce and select, or determine optimal molecular descriptor subset via configuration space optimization? Application to the prediction of ecotoxicological endpoints
García‐González, Luis A., Marrero‐Ponce, Yovani, Brizuela, Carlos A., García‐Jacas, César R.
Published in Molecular informatics (01.06.2023)
Published in Molecular informatics (01.06.2023)
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Journal Article
Distributed and multicore QuBiLS‐MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra
García‐Jacas, César R., Marrero‐Ponce, Yovani, Vivas‐Reyes, Ricardo, Suárez‐Lezcano, José, Martinez‐Rios, Felix, Terán, Julio E., Aguilera‐Mendoza, Longendri
Published in Journal of computational chemistry (05.05.2020)
Published in Journal of computational chemistry (05.05.2020)
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Journal Article
Smoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding
García‐Jacas, César R., Marrero‐Ponce, Yovani, Brizuela, Carlos A., Suárez‐Lezcano, José, Martinez‐Rios, Felix
Published in Journal of computational chemistry (30.01.2020)
Published in Journal of computational chemistry (30.01.2020)
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Journal Article
QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps
García-Jacas, César R., Marrero-Ponce, Yovani, Acevedo-Martínez, Liesner, Barigye, Stephen J., Valdés-Martiní, José R., Contreras-Torres, Ernesto
Published in Journal of computational chemistry (05.07.2014)
Published in Journal of computational chemistry (05.07.2014)
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Journal Article
Learning from Multiple Classifier Systems: Perspectives for Improving Decision Making of QSAR Models in Medicinal Chemistry
Pham-The, Hai, Nam, Nguyen-Hai, Nga, Doan-Viet, Hai, Dang Thanh, Dieguez-Santana, Karel, Marrero-Poncee, Yovani, Castillo-Garit, Juan A, Casanola-Martin, Gerardo M, Le-Thi-Thu, Huong
Published in Current topics in medicinal chemistry (09.02.2018)
Published in Current topics in medicinal chemistry (09.02.2018)
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Journal Article
Fishing Anti-Inflammatories from Known Drugs: In Silico Repurposing, Design, Synthesis and Biological Evaluation of Bisacodyl Analogues
Veitía, Maité Sylla-Iyarreta, Mota, Dany Siverio, Lerari, Vanessa, Marín, Marta, Giner, Rosa M, Muro, Liliana Vicet, Guerra, Yankier Rivero, Dumas, Françoise, Ferroud, Clotilde, de Witte, Peter A M, Crawford, Alexander D, Arán, Vicente J, Ponce, Yovani Marrero
Published in Current topics in medicinal chemistry (01.10.2017)
Published in Current topics in medicinal chemistry (01.10.2017)
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Journal Article
Relations frequency hypermatrices in mutual, conditional, and joint entropy-based information indices
Barigye, Stephen J., Marrero-Ponce, Yovani, Martínez-López, Yoan, Torrens, Francisco, Artiles-Martínez, Luis Manuel, Pino-Urias, Ricardo W., Martínez-Santiago, Oscar
Published in Journal of computational chemistry (05.02.2013)
Published in Journal of computational chemistry (05.02.2013)
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Journal Article
GOWAWA Aggregation Operator‐based Global Molecular Characterizations: Weighting Atom/bond Contributions (LOVIs/LOEIs) According to their Influence in the Molecular Encoding
García‐Jacas, César R., Cabrera‐Leyva, Lisset, Marrero‐Ponce, Yovani, Suárez‐Lezcano, José, Cortés‐Guzmán, Fernando, García‐González, Luis A.
Published in Molecular informatics (01.12.2018)
Published in Molecular informatics (01.12.2018)
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Journal Article
Orthotropic Piezoelectricity in 2D Nanocellulose
García, Y., Ruiz-Blanco, Yasser B., Marrero-Ponce, Yovani, Sotomayor-Torres, C. M.
Published in Scientific reports (06.10.2016)
Published in Scientific reports (06.10.2016)
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Journal Article
A 2022 Update on Computational Approaches to the Discovery and Design of Antimicrobial Peptides
Agüero-Chapin, Guillermin, Antunes, Agostinho, Marrero-Ponce, Yovani
Published in Antibiotics (Basel) (01.06.2023)
Published in Antibiotics (Basel) (01.06.2023)
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Journal Article
Searching glycolate oxidase inhibitors based on QSAR, molecular docking, and molecular dynamic simulation approaches
Cabrera, Nicolás, Cuesta, Sebastián A., Mora, José R., Paz, José Luis, Márquez, Edgar A., Espinoza-Montero, Patricio J., Marrero-Ponce, Yovani, Pérez, Noel, Contreras-Torres, Ernesto
Published in Scientific reports (19.11.2022)
Published in Scientific reports (19.11.2022)
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Journal Article
Unveiling Encrypted Antimicrobial Peptides from Cephalopods’ Salivary Glands: A Proteolysis-Driven Virtual Approach
Agüero-Chapin, Guillermin, Domínguez-Pérez, Dany, Marrero-Ponce, Yovani, Castillo-Mendieta, Kevin, Antunes, Agostinho
Published in ACS omega (29.10.2024)
Published in ACS omega (29.10.2024)
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Journal Article
A Novel Network Science and Similarity-Searching-Based Approach for Discovering Potential Tumor-Homing Peptides from Antimicrobials
Romero, Maylin, Marrero-Ponce, Yovani, Rodríguez, Hortensia, Agüero-Chapin, Guillermin, Antunes, Agostinho, Aguilera-Mendoza, Longendri, Martinez-Rios, Felix
Published in Antibiotics (Basel) (17.03.2022)
Published in Antibiotics (Basel) (17.03.2022)
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Journal Article
Emerging Computational Approaches for Antimicrobial Peptide Discovery
Agüero-Chapin, Guillermin, Galpert-Cañizares, Deborah, Domínguez-Pérez, Dany, Marrero-Ponce, Yovani, Pérez-Machado, Gisselle, Teijeira, Marta, Antunes, Agostinho
Published in Antibiotics (Basel) (13.07.2022)
Published in Antibiotics (Basel) (13.07.2022)
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Journal Article
QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations
Valdés-Martiní, José R., Marrero-Ponce, Yovani, García-Jacas, César R., Martinez-Mayorga, Karina, Barigye, Stephen J., Vaz d‘Almeida, Yasser Silveira, Pham-The, Hai, Pérez-Giménez, Facundo, Morell, Carlos A.
Published in Journal of cheminformatics (07.06.2017)
Published in Journal of cheminformatics (07.06.2017)
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Journal Article
Trends in information theory-based chemical structure codification
Barigye, Stephen J., Marrero-Ponce, Yovani, Pérez-Giménez, Facundo, Bonchev, Danail
Published in Molecular diversity (01.08.2014)
Published in Molecular diversity (01.08.2014)
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Journal Article
Peptide hemolytic activity analysis using visual data mining of similarity-based complex networks
Castillo-Mendieta, Kevin, Agüero-Chapin, Guillermin, Marquez, Edgar A., Perez-Castillo, Yunierkis, Barigye, Stephen J., Vispo, Nelson Santiago, García-Jacas, Cesar R., Marrero-Ponce, Yovani
Published in NPJ systems biology and applications (04.10.2024)
Published in NPJ systems biology and applications (04.10.2024)
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