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Discrete Derivatives for Atom-Pairs as a Novel Graph-Theoretical Invariant for Generating New Molecular Descriptors: Orthogonality, Interpretation and QSARs/QSPRs on Benchmark Databases.
Martínez-Santiago, Oscar; Millán-Cabrera, Reisel; Marrero-Ponce, Yovani; Barigye, Stephen J; Martínez-López, Yoan; Torrens, Francisco; Pérez-Giménez, Facundo.
Afiliação
  • Martínez-Santiago O; Unit of Computer-Aided Molecular "Biosilico" Discovery and Bioinformatic Research (CAMD-BIR Unit), Facultad de Química y Farmacia,. Universidad Central "Marta Abreu" de Las Villas, Carretera a Camajuani Km 5 1/2, Santa Clara, 54830, Villa Clara, Cuba. fax: 963543156; phone: 963543156.
  • Millán-Cabrera R; Unit of Computer-Aided Molecular "Biosilico" Discovery and Bioinformatic Research (CAMD-BIR Unit), Facultad de Química y Farmacia,. Universidad Central "Marta Abreu" de Las Villas, Carretera a Camajuani Km 5 1/2, Santa Clara, 54830, Villa Clara, Cuba. fax: 963543156; phone: 963543156.
  • Marrero-Ponce Y; Unit of Computer-Aided Molecular "Biosilico" Discovery and Bioinformatic Research (CAMD-BIR Unit), Facultad de Química y Farmacia,. Universidad Central "Marta Abreu" de Las Villas, Carretera a Camajuani Km 5 1/2, Santa Clara, 54830, Villa Clara, Cuba. fax: 963543156; phone: 963543156. ymarrero77@yah
  • Barigye SJ; Doctorado en Toxicología Ambiental, Facultad de Química Farmacéutica, Universidad de Cartagena, Cartagena de Indias, Bolívar, Colombia. ymarrero77@yahoo.es, ymponce@gmail.com.
  • Martínez-López Y; Unit of Computer-Aided Molecular "Biosilico" Discovery and Bioinformatic Research (CAMD-BIR Unit), Facultad de Química y Farmacia,. Universidad Central "Marta Abreu" de Las Villas, Carretera a Camajuani Km 5 1/2, Santa Clara, 54830, Villa Clara, Cuba. fax: 963543156; phone: 963543156.
  • Torrens F; Unit of Computer-Aided Molecular "Biosilico" Discovery and Bioinformatic Research (CAMD-BIR Unit), Facultad de Química y Farmacia,. Universidad Central "Marta Abreu" de Las Villas, Carretera a Camajuani Km 5 1/2, Santa Clara, 54830, Villa Clara, Cuba. fax: 963543156; phone: 963543156.
  • Pérez-Giménez F; Department of Computer Sciences, Faculty of Informatics, Camaguey University, Camaguey City, 74650 Camaguey Cuba.
Mol Inform ; 33(5): 343-68, 2014 May.
Article em En | MEDLINE | ID: mdl-27485891
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2014 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2014 Tipo de documento: Article