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Title: Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applicationsAuthor: Cubillán N. / Marrero-Ponce Y. / Ariza-Rico H. / Barigye S.J. / García-Jacas C.R. / Valdes-Martini J.R. / Alvarado Y.J.Language: InglésRepository: 61Subject: 3D-linear index / QSPR study / TOMOCOMD-CARDD / Variability analysis
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Title: Multi-server approach for high-throughput molecular descriptors calculation based on multi-linear algebraic mapsAuthor: García-Jacas C.R. / Aguilera-Mendoza L. / González-Pérez R. / Marrero-Ponce Y. / Acevedo-Martínez L. / Barigye S.J. / Avdeenko T.Language: InglésRepository: 61Subject: 3D N-linear algebraic descriptors / Distributed computing system / Multi-server architecture / Platform of distributed tasks / QuBiLS-MIDAS / T-arenal / TOMOCOMD-CARDD / Algorithm / Article / Calculation / Chemical structure / Communication protocol / Mathematics / Performance / Priority journal / Quantitative structure activity relation / Software / Theoretical model / Models, Theoretical
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Title: Optimum search strategies or novel 3D molecular descriptors: Is there a stalemate?Author: Marrero-Ponce Y. / García-Jacas C.R. / Barigye S.J. / Valdés-Martiní J.R. / Rivera-Borroto O.M. / Pino-Urias R.W. / Cubillán N. / Alvarado Y.J. / Le-Thi-Thu H.Language: InglésRepository: 61Subject: 3D-QSAR / Aggregation operator / Alignment free method / Minkowski distance matrix / Principal component analysis / QuBiLS-MIDAS / TOMOCOMD-CARDD / Two-tuple spatial-(dis)similarity matrix / Variability analysis / Corticosteroid / Globulin / Steroid / Article / Atom / Binding affinity / Data base / High throughput screening / Information / Methodology / Priority journal / Quantitative structure activity relation / Training
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Title: Atom, atom-type, and total linear indices of the "molecular pseudograph's atom adjacency matrix": Application to QSPR/QSAR studies of organic compoundsAuthor: Marrero Ponce, Yovani / Castillo Garit, Juan Alberto / Torrens, Francisco / Romero Zaldívar, Vicente / Castro, Eduardo A.Language: EspañolRepository: 37
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