Comparative study to predict toxic modes of action of phenols from molecular structures
Brito-Sánchez, Y., Castillo-Garit, J.A., Le-Thi-Thu, H., González-Madariaga, Y., Torrens, F., Marrero-Ponce, Y., Rodríguez-Borges, J.E.
Published in SAR and QSAR in environmental research (01.03.2013)
Published in SAR and QSAR in environmental research (01.03.2013)
Get full text
Journal Article
Ligand and structure-based discovery of phosphorus-containing compounds as potential metalloproteinase inhibitors
Cañizares-Carmenate, Y., Perera-Sardiña, Y., Marrero-Ponce, Y., Díaz-Amador, R., Torrens, F., Castillo-Garit, J.A.
Published in SAR and QSAR in environmental research (03.03.2024)
Published in SAR and QSAR in environmental research (03.03.2024)
Get full text
Journal Article
Discovering key residues of dengue virus NS2b-NS3-protease: New binding sites for antiviral inhibitors design
Aguilera-Pesantes, D., Robayo, L.E., Méndez, P.E., Mollocana, D., Marrero-Ponce, Y., Torres, F.J., Méndez, M.A.
Published in Biochemical and biophysical research communications (28.10.2017)
Published in Biochemical and biophysical research communications (28.10.2017)
Get full text
Journal Article
N-tuple topological/geometric cutoffs for 3D N-linear algebraic molecular codifications: variability, linear independence and QSAR analysis
García-Jacas, C. R., Marrero-Ponce, Y., Barigye, S. J., Hernández-Ortega, T., Cabrera-Leyva, L., Fernández-Castillo, A.
Published in SAR and QSAR in environmental research (01.12.2016)
Published in SAR and QSAR in environmental research (01.12.2016)
Get full text
Journal Article
QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents
Medina Marrero, R., Marrero-Ponce, Y., Barigye, S.J., Echeverría Díaz, Y., Acevedo-Barrios, R., Casañola-Martín, G.M., García Bernal, M., Torrens, F., Pérez-Giménez, F.
Published in SAR and QSAR in environmental research (02.11.2015)
Published in SAR and QSAR in environmental research (02.11.2015)
Get full text
Journal Article
Exploring the QSAR's predictive truthfulness of the novel N-tuple discrete derivative indices on benchmark datasets
Martínez-Santiago, O., Marrero-Ponce, Y., Vivas-Reyes, R., Rivera-Borroto, O. M., Hurtado, E., Treto-Suarez, M. A., Ramos, Y., Vergara-Murillo, F., Orozco-Ugarriza, M. E., Martínez-López, Y.
Published in SAR and QSAR in environmental research (04.05.2017)
Published in SAR and QSAR in environmental research (04.05.2017)
Get full text
Journal Article
Tensor algebra-based geometric methodology to codify central chirality on organic molecules
García-Jacas, C. R., Marrero-Ponce, Y., Hernández-Ortega, T., Martinez-Mayorga, K., Cabrera-Leyva, L., Ledesma-Romero, J. C., Aguilera-Fernández, I., Rodríguez-León, A. R.
Published in SAR and QSAR in environmental research (03.06.2017)
Published in SAR and QSAR in environmental research (03.06.2017)
Get full text
Journal Article
Event-based criteria in GT-STAF information indices: theory, exploratory diversity analysis and QSPR applications
Barigye, S.J., Marrero-Ponce, Y., López, Y. Martínez, Santiago, O. Martínez, Torrens, F., Domenech, R. García, Galvez, J.
Published in SAR and QSAR in environmental research (01.01.2013)
Published in SAR and QSAR in environmental research (01.01.2013)
Get full text
Journal Article
Linear Indices of the “Molecular Pseudograph's Atom Adjacency Matrix”: Definition, Significance-Interpretation, and Application to QSAR Analysis of Flavone Derivatives as HIV-1 Integrase Inhibitors
Marrero-Ponce, Yovani
Published in Journal of Chemical Information and Computer Sciences (01.11.2004)
Published in Journal of Chemical Information and Computer Sciences (01.11.2004)
Get full text
Journal Article
A novel approach to predict aquatic toxicity from molecular structure
Castillo-Garit, Juan A., Marrero-Ponce, Yovani, Escobar, Jeanette, Torrens, Francisco, Rotondo, Richard
Published in Chemosphere (Oxford) (01.09.2008)
Published in Chemosphere (Oxford) (01.09.2008)
Get full text
Journal Article
Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity
Marrero-Ponce, Yovani, Medina-Marrero, Ricardo, Torrens, Francisco, Martinez, Yamile, Romero-Zaldivar, Vicente, Castro, Eduardo A.
Published in Bioorganic & medicinal chemistry (15.04.2005)
Published in Bioorganic & medicinal chemistry (15.04.2005)
Get full text
Journal Article
Atom-based stochastic and non-stochastic 3D-chiral bilinear indices and their applications to central chirality codification
Castillo-Garit, Juan A., Marrero-Ponce, Yovani, Torrens, Francisco, Rotondo, Richard
Published in Journal of molecular graphics & modelling (01.07.2007)
Published in Journal of molecular graphics & modelling (01.07.2007)
Get full text
Journal Article
Atom-based 3D-chiral quadratic indices. Part 2: Prediction of the corticosteroid-binding globulin binding affinity of the 31 benchmark steroids data set
CASTILLO-GARIT, Juan A, MARRERO-PONCE, Yovani, TORRENS, Francisco
Published in Bioorganic & medicinal chemistry (01.04.2006)
Published in Bioorganic & medicinal chemistry (01.04.2006)
Get full text
Journal Article
Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic
Marrero-Ponce, Yovani, Castillo-Garit, Juan A., Olazabal, Ervelio, Serrano, Hector S., Morales, Alcidez, Castañedo, Nilo, Ibarra-Velarde, Froylán, Huesca-Guillen, Alma, Sánchez, Alicia M., Torrens, Francisco, Castro, Eduardo A.
Published in Bioorganic & medicinal chemistry (15.02.2005)
Published in Bioorganic & medicinal chemistry (15.02.2005)
Get full text
Journal Article
Ligand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps
Marrero-Ponce, Yovani, Iyarreta-Veitía, Maité, Montero-Torres, Alina, Romero-Zaldivar, Carlos, Brandt, Carlos A, Ávila, Priscilla E, Kirchgatter, Karin, Machado, Yanetsy
Published in Journal of chemical information and modeling (01.07.2005)
Published in Journal of chemical information and modeling (01.07.2005)
Get full text
Journal Article
Protein linear indices of the ‘macromolecular pseudograph α-carbon atom adjacency matrix’ in bioinformatics. Part 1: Prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor
Marrero-Ponce, Yovani, Medina-Marrero, Ricardo, Castillo-Garit, Juan A., Romero-Zaldivar, Vicente, Torrens, Francisco, Castro, Eduardo A.
Published in Bioorganic & medicinal chemistry (15.04.2005)
Published in Bioorganic & medicinal chemistry (15.04.2005)
Get full text
Journal Article
New tyrosinase inhibitors selected by atomic linear indices-based classification models
Casañola-Martín, Gerardo M., Khan, Mahmud Tareq Hassan, Marrero-Ponce, Yovani, Ather, Arjumand, Sultankhodzhaev, Mukhlis N., Torrens, Francisco
Published in Bioorganic & medicinal chemistry letters (15.01.2006)
Published in Bioorganic & medicinal chemistry letters (15.01.2006)
Get full text
Journal Article
Non-stochastic and stochastic linear indices of the ‘molecular pseudograph’s atom adjacency matrix’: application to ‘in silico’ studies for the rational discovery of new antimalarial compounds
Marrero Ponce, Yovani, Montero-Torres, Alina, Romero Zaldivar, Carlos, Iyarreta Veitía, Maité, Mayón Peréz, Mariuchy, García Sánchez, Rory N.
Published in Bioorganic & medicinal chemistry (15.02.2005)
Published in Bioorganic & medicinal chemistry (15.02.2005)
Get full text
Journal Article