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New publicly available chemical query language, CSRML, to support chemotype representations for application to data mining and modeling.
Yang, Chihae; Tarkhov, Aleksey; Marusczyk, Jörg; Bienfait, Bruno; Gasteiger, Johann; Kleinoeder, Thomas; Magdziarz, Tomasz; Sacher, Oliver; Schwab, Christof H; Schwoebel, Johannes; Terfloth, Lothar; Arvidson, Kirk; Richard, Ann; Worth, Andrew; Rathman, James.
Afiliación
  • Yang C; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Tarkhov A; ‡Altamira LLC, Columbus, Ohio 43235, United States.
  • Marusczyk J; ∥US Food and Drug Administration Center for Food Safety and Applied Nutrition, Office of Food Additive Safety (FDA CFSAN OFAS), College Park, Maryland 20740, United States.
  • Bienfait B; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Gasteiger J; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Kleinoeder T; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Magdziarz T; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Sacher O; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Schwab CH; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Schwoebel J; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Terfloth L; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Arvidson K; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Richard A; †Molecular Networks GmbH, 91052 Erlangen, Germany.
  • Worth A; ∥US Food and Drug Administration Center for Food Safety and Applied Nutrition, Office of Food Additive Safety (FDA CFSAN OFAS), College Park, Maryland 20740, United States.
  • Rathman J; ⊥National Center for Computational Toxicology, US Environmental Protection Agency (EPA), Research Triangle Park, North Carolina 27711, United States.
J Chem Inf Model ; 55(3): 510-28, 2015 Mar 23.
Article en En | MEDLINE | ID: mdl-25647539
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Lenguajes de Programación / Programas Informáticos / Química / Minería de Datos Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2015 Tipo del documento: Article País de afiliación: Alemania
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Lenguajes de Programación / Programas Informáticos / Química / Minería de Datos Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2015 Tipo del documento: Article País de afiliación: Alemania