Search Result "atom-based quadratic indices."


Analysis of Proteasome Inhibition Prediction Using Atom-Based Quadratic Indices Enhanced by Machine Learning Classification Techniques

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 6 Year: 2014 Page: 705-711
Author(s): Gerardo M. Casanola-Martin,Huong Le-Thi-Thu,Yovani Marrero-Ponce,Juan A Castillo- Garit,Francisco Torrens,Facundo Perez-Gimenez,Concepcion Abad

Multi-output Model with Box-Jenkins Operators of Quadratic Indices for Prediction of Malaria and Cancer Inhibitors Targeting Ubiquitin- Proteasome Pathway (UPP) Proteins

Journal: Current Protein & Peptide Science
Volume: 17 Issue: 3 Year: 2016 Page: 220-227
Author(s): Gerardo M. Casañola-Martin,Huong Le-Thi-Thu,Facundo Pérez-Giménez,Yovani Marrero-Ponce,Matilde Merino-Sanjuán,Concepción Abad,Humberto González-Díaz

Review Article

Prediction of Aquatic Toxicity of Benzene Derivatives to Tetrahymena pyriformis According to OECD Principles

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 33 Year: 2016 Page: 5085-5094
Author(s): Juan A. Castillo-Garit,Concepción Abad,Gerardo M. Casañola-Martin,Stephen Jones Barigye,Francisco Torrens,Amparo Torreblanca

A Computer-Based Approach to the Rational Discovery of New Trichomonacidal Drugs by Atom-Type Linear Indices

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 4 Year: 2005 Page: 245-265
Author(s): Yovani Marrero-Ponce, Yanetsy Machado-Tugores, David M. Pereira, Jose A. Escario, Alicia G. Barrio, Juan J. Nogal-Ruiz, Carmen Ochoa, Vicente J. Aran, Antonio R. Martinez-Fernandez, Rory N. Garcia Sanchez, Alina Montero-Torres, Francisco Torrens, Alfredo Meneses-Marcel

Shannon’s, Mutual, Conditional and Joint Entropy Information Indices: Generalization of Global Indices Defined from Local Vertex Invariants

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 164-183
Author(s): Stephen J. Barigye,Yovani Marrero-Ponce,Oscar Martinez Santiago,Yoan Martinez Lopez,Facundo Perez-Gimenez,Francisco Torrens

Imaging Conditions Optimization of Human Bronchial Epithelial Cell Based on Atomic Force Microscope

Journal: Current Nanoscience
Volume: 12 Issue: 1 Year: 2016 Page: 118-124
Author(s): Ya Li,Guo Li,Fei Jia,Haidong Liu,Alamusi,Weifeng Yuan

Predicting Drugs and Proteins in Parasite Infections with Topological Indices of Complex Networks: Theoretical Backgrounds, Applications and Legal Issues

Journal: Current Pharmaceutical Design
Volume: 16 Issue: 2 Year: 2010 Page: 2737-2764
Author(s): Humberto Gonzalez-Diaz, Fernanda Romaris, Aliuska Duardo-Sanchez, Lazaro G. Perez-Montoto, Francisco Prado-Prado, Grace Patlewicz, Florencio M. Ubeira

Medicinal Chemistry and Bioinformatics - Current Trends in Drugs Discovery with Networks Topological Indices

Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1015-1029
Author(s): Humberto Gonzalez-Diaz, Santiago Vilar, Lourdes Santana, Eugenio Uriarte

Optimum Search Strategies or Novel 3D Molecular Descriptors: is there a Stalemate?

Journal: Current Bioinformatics
Volume: 10 Issue: 5 Year: 2015 Page: 533-564
Author(s): Yovani Marrero-Ponce,César R. García-Jacas,Stephen J . Barigye,José R. Valdés-Martiní,Oscar Miguel Rivera-Borroto,Ricardo W. Pino-Urias,Néstor Cubillán,Ysaías J. Alvarado,Huong Le-Thi-Thu

N-Linear Algebraic Maps for Chemical Structure Codification: A Suitable Generalization for Atom-pair Approaches?

Journal: Current Drug Metabolism
Volume: 15 Issue: 4 Year: 2014 Page: 441-469
Author(s): Cesar R. Garcia-Jacas,Yovani Marrero-Ponce,Stephen J. Barigye,Jose R. Valdes-Martini,Oscar M. Rivera-Borroto,Jesus Olivero-Verbel

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