Citations (45)
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A.M. Al-Fakih, Z.Y. Algamal, M.H. Lee, M. Aziz & H.T.M. Ali. (2019) A QSAR model for predicting antidiabetic activity of dipeptidyl peptidase-IV inhibitors by enhanced binary gravitational search algorithm. SAR and QSAR in Environmental Research 30:6, pages 403-416.
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Juan C Garro Martinez, Esteban G Vega-Hissi, Matías F Andrada & Mario R Estrada. (2015) QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity. Expert Opinion on Drug Discovery 10:1, pages 37-51.
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J.
B. Ghasemi, M. Salahinejad & M.
K. Rofouei. (2011) Review of the quantitative structure–activity relationship modelling methods on estimation of formation constants of macrocyclic compounds with different guest molecules. Supramolecular Chemistry 23:9, pages 614-629.
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G. Patlewicz, A. O. Aptula, E. Uriarte, D. W. Roberts, P. S. Kern, G. F. Gerberick, I. Kimber, R. J. Dearman, C. A. Ryan & D. A. Basketter. (2007) An evaluation of selected global (Q)SARs/expert systems for the prediction of skin sensitisation potential. SAR and QSAR in Environmental Research 18:5-6, pages 515-541.
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E. Estrada, E. Uriarte, Y. Gutierrez & H. González. (2003) Quantitative structure-toxicity relationships using TOPS-MODE. 3. Structural factors influencing the permeability of commercial solvents through living human skin. SAR and QSAR in Environmental Research 14:2, pages 145-163.
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E. Estrada, E. Molina & E. Uriarte. (2001) Quantitative Structure-Toxicity Relationships Using Tops-Mode. 2. Neurotoxicity of a Non-Congeneric Series of Solvents. SAR and QSAR in Environmental Research 12:5, pages 445-459.
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E. Estrada & E. Uriarte. (2001) Quantitative Structure–Toxicity Relationships Using Tops-Mode. 1. Nitrobenzene Toxicity to Tetrahymena Pyriformis
. SAR and QSAR in Environmental Research 12:3, pages 309-324.
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Articles from other publishers (38)
Valeria V. Kleandrova, Marcus T. Scotti & Alejandro Speck-Planche. (2021) Indirect-Acting Pan-Antivirals vs. Respiratory Viruses: A Fresh Perspective on Computational Multi-Target Drug Discovery. Current Topics in Medicinal Chemistry 21:30, pages 2687-2693.
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Andrey A. Toropov & Alla P. Toropova. (2020) QSPR/QSAR: State-of-Art, Weirdness, the Future. Molecules 25:6, pages 1292.
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Néstor Cubillán, Yovani Marrero-Ponce, Harold Ariza-Rico, Stephen J. Barigye, César R. García-Jacas, José R. Valdes-Martini & Ysaías J. Alvarado. (2015) Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applications. Journal of Mathematical Chemistry 53:9, pages 2028-2064.
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Esvieta Tenorio-Borroto, Claudia G. Peñuelas-Rivas, Juan C. Vásquez-Chagoyán, Nilo Castañedo, Francisco J. Prado-Prado, Xerardo García-Mera & Humberto González-Díaz. (2014) Model for high-throughput screening of drug immunotoxicity – Study of the anti-microbial G1 over peritoneal macrophages using flow cytometry. European Journal of Medicinal Chemistry 72, pages 206-220.
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Alexandru T. Balaban. 2009. Encyclopedia of Complexity and Systems Science. Encyclopedia of Complexity and Systems Science
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Stephen J. Barigye, Yovani Marrero‐Ponce, Yoan Martínez‐López, Francisco Torrens, Luis Manuel Artiles‐Martínez, Ricardo W. Pino‐Urias & Oscar Martínez‐Santiago. (2012) Relations frequency hypermatrices in mutual, conditional, and joint entropy‐based information indices. Journal of Computational Chemistry 34:4, pages 259-274.
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Jintao Yuan, Yuepu Pu & Lihong Yin. (2012) Liver Specificity of the Carcinogenicity of NOCs: A Chemical–Molecular Perspective. Chemical Research in Toxicology 25:11, pages 2432-2442.
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Jintao Yuan, Yuepu Pu & Lihong Yin. (2012) QSAR study of liver specificity of carcinogenicity of N-nitroso compounds. Ecotoxicology and Environmental Safety 84, pages 282-292.
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Guillermin Agüero-Chapin, Gustavo A de la Riva, Reinaldo Molina-Ruiz, Aminael Sánchez-Rodríguez, Gisselle Pérez-Machado, Vítor Vasconcelos & Agostinho Antunes. (2011) Non-linear models based on simple topological indices to identify RNase III protein members. Journal of Theoretical Biology 273:1, pages 167-178.
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Guillermín Agüero-Chapin, Gisselle Pérez-Machado, Reinaldo Molina-Ruiz, Yunierkis Pérez-Castillo, Aliuska Morales-Helguera, Vítor Vasconcelos & Agostinho Antunes. (2010) TI2BioP: Topological Indices to BioPolymers. Its practical use to unravel cryptic bacteriocin-like domains. Amino Acids 40:2, pages 431-442.
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Alcides Perez-Bello, Cristian Robert Munteanu, Florencio M. Ubeira, Alexandre Lopes De Magalhães, Eugenio Uriarte & Humberto González-Díaz. (2009) Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices. Journal of Theoretical Biology 256:3, pages 458-466.
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Alexandru T. Balaban. 2009. Encyclopedia of Complexity and Systems Science. Encyclopedia of Complexity and Systems Science
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Maykel Cruz‐Monteagudo, Fernanda Borges & M. Natália D. S. Cordeiro. (2008) Desirability‐based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles. Journal of Computational Chemistry 29:14, pages 2445-2459.
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Maykel Cruz-Monteagudo, Fernanda Borges, M. Natália D. S. Cordeiro, J. Luis Cagide Fajin, Carlos Morell, Reinaldo Molina Ruiz, Yudith Cañizares-Carmenate & Elena Rosa Dominguez. (2008) Desirability-Based Methods of Multiobjective Optimization and Ranking for Global QSAR Studies. Filtering Safe and Potent Drug Candidates from Combinatorial Libraries. Journal of Combinatorial Chemistry 10:6, pages 897-913.
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Juan A. Castillo-Garit, Oscar Martinez-Santiago, Yovani Marrero-Ponce, Gerardo M. Casañola-Martín & Francisco Torrens. (2008) Atom-based non-stochastic and stochastic bilinear indices: Application to QSPR/QSAR studies of organic compounds. Chemical Physics Letters 464:1-3, pages 107-112.
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Aliuska Morales Helguera, Maykel Pérez González, Maria Natália Dias Soeiro Cordeiro & Miguel Ángel Cabrera Pérez. (2008) Quantitative Structure−Carcinogenicity Relationship for Detecting Structural Alerts in Nitroso Compounds: Species, Rat; Sex, Female; Route of Administration, Gavage. Chemical Research in Toxicology 21:3, pages 633-642.
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Guillermín Agüero-ChapínHumberto González-DíazGustavo de la RivaEdrey RodríguezAminael Sánchez-RodríguezGianni PoddaRoberto I. Vazquez-Padrón. (2008)
MMM-QSAR Recognition of Ribonucleases without Alignment: Comparison with an HMM Model and Isolation from
Schizosaccharomyces pombe
, Prediction, and Experimental Assay of a New Sequence
. Journal of Chemical Information and Modeling 48:2, pages 434-448.
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Aliuska Helguera Morales, Miguel Ángel Cabrera Pérez, Robert D. Combes & Maykel Pérez González. (2006) Quantitative structure activity relationship for the computational prediction of nitrocompounds carcinogenicity. Toxicology 220:1, pages 51-62.
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Miguel Angel Cabrera, Isabel González, Carlos Fernández, Carmen Navarro & Marival Bermejo. (2006) A topological substructural approach for the prediction of P-glycoprotein substrates. Journal of Pharmaceutical Sciences 95:3, pages 589-606.
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Anton A. Kiss & Mircea V. Diudea. 2006. 16th European Symposium on Computer Aided Process Engineering and 9th International Symposium on Process Systems Engineering. 16th European Symposium on Computer Aided Process Engineering and 9th International Symposium on Process Systems Engineering
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Aliuska Morales Helguera, Miguel Angel Cabrera Pérez, Maykel Pérez González, Reinaldo Molina Ruiz & Humberto González Díaz. (2005) A topological substructural approach applied to the computational prediction of rodent carcinogenicity. Bioorganic & Medicinal Chemistry 13:7, pages 2477-2488.
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Yovani Ponce, Juan Garit, Francisco Torrens, Vicente Zaldivar & Eduardo Castro. (2004) Atom, Atom-Type, and Total Linear Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”: Application to QSPR/QSAR Studies of Organic Compounds. Molecules 9:12, pages 1100-1123.
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Yovani Marrero-Ponce. (2004) 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. Journal of Chemical Information and Computer Sciences 44:6, pages 2010-2026.
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Miguel Angel Cabrera Pérez, Marival Bermejo Sanz, Liliana Ramos Torres, Ricardo Grau Ávalos, Maykel Pérez González & Humberto González Díaz. (2004) A topological sub-structural approach for predicting human intestinal absorption of drugs. European Journal of Medicinal Chemistry 39:11, pages 905-916.
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Miguel Angel Cabrera Pérez & Marival Bermejo Sanz. (2004) In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS–MODE approach. Bioorganic & Medicinal Chemistry 12:22, pages 5833-5843.
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Maykel Pérez González, Luiz Carlos Dias & Aliuska Morales Helguera. (2004) A topological sub-structural approach to the mutagenic activity in dental monomers. 2. Cycloaliphatic epoxides. Polymer 45:15, pages 5353-5359.
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Miguel Angel Cabrera, Marival Bermejo, Maykel Pérez & Ronal Ramos. (2004) TOPS‐MODE Approach for the Prediction of Blood–Brain Barrier Permeation. Journal of Pharmaceutical Sciences 93:7, pages 1701-1717.
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Maykel Pérez González & Maria del Carmen Terán Moldes. (2004) A TOPS-MODE approach to predict affinity for A1 adenosine receptors. 2-(Arylamino)adenosine analogues. Bioorganic & Medicinal Chemistry 12:11, pages 2985-2993.
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Maykel Pérez González, Aliuska Morales Helguera, Reinaldo Molina Ruiz & José R. Garcı́a Fárdales. (2004) A topological sub-structural approach of the mutagenic activity in dental monomers. 1. Aromatic epoxides. Polymer 45:8, pages 2773-2779.
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Maykel Pérez González, Aliuska Morales Helguera & Humberto González Dı́az. (2004) A TOPS-MODE approach to predict permeability coefficients. Polymer 45:6, pages 2073-2079.
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Ernesto Estrada, Grace Patlewicz, Mark Chamberlain, David Basketter & Sue Larbey. (2003) Computer-Aided Knowledge Generation for Understanding Skin Sensitization Mechanisms: The TOPS-MODE Approach. Chemical Research in Toxicology 16:10, pages 1226-1235.
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Yovani Ponce. (2003) Total and Local Quadratic Indices of the Molecular Pseudograph's Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds. Molecules 8:9, pages 687-726.
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Ernesto Estrada & Humberto González. (2002) What Are the Limits of Applicability for Graph Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors. Journal of Chemical Information and Computer Sciences 43:1, pages 75-84.
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Ernesto Estrada, Santiago Vilar, Eugenio Uriarte & Yaquelin Gutierrez. (2002) In Silico Studies toward the Discovery of New Anti-HIV Nucleoside Compounds with the Use of TOPS-MODE and 2D/3D Connectivity Indices. 1. Pyrimidyl Derivatives. Journal of Chemical Information and Computer Sciences 42:5, pages 1194-1203.
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Ernesto Estrada & Enrique Molina. (2001) Novel local (fragment-based) topological molecular descriptors for QSPR/QSAR and molecular design. Journal of Molecular Graphics and Modelling 20:1, pages 54-64.
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Ernesto Estrada, Enrique Molina & Iliana Perdomo-López. (2001) Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors?. Journal of Chemical Information and Computer Sciences 41:4, pages 1015-1021.
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Ernesto Estrada, Yaquelin Gutierrez & Humberto González. (2000) Modeling Diamagnetic and Magnetooptic Properties of Organic Compounds with the TOSS-MODE Approach. Journal of Chemical Information and Computer Sciences 40:6, pages 1386-1399.
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Ernesto Estrada, Eugenio Uriarte, Alina Montero, Marta Teijeira, Lourdes Santana & Erik De Clercq. (2000) A Novel Approach for the Virtual Screening and Rational Design of Anticancer Compounds. Journal of Medicinal Chemistry 43:10, pages 1975-1985.
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