ChemScanner: extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files

Autor: An Nguyen, Yu-Chieh Huang, Pierre Tremouilhac, Nicole Jung, Stefan Bräse

Publikováno v: Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-9 (2019)

Abstract We developed ChemScanner, a software that can be used for the extraction of chemical information from ChemDraw binary (CDX) or ChemDraw XML-based (CDXML) files and to retrieve the ChemDraw scheme from DOC, DOCX or XML documents. This can fac

Externí odkaz: https://doaj.org/article/272a3991fa2841c2801173d9bc45e6e5

CHEMSCANNER: extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files.

Autor: Nguyen A; Institute of Toxicology and Genetics, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany., Huang YC; Institute of Toxicology and Genetics, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany., Tremouilhac P; Institute of Toxicology and Genetics, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany., Jung N; Institute of Toxicology and Genetics, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany. nicole.jung@kit.edu.; Institute of Organic Chemistry, Karlsruhe Institute of Technology, Fritz-Haber-Weg 6, 76131, Karlsruhe, Germany. nicole.jung@kit.edu., Bräse S; Institute of Toxicology and Genetics, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany. stefan.braese@kit.edu.; Institute of Organic Chemistry, Karlsruhe Institute of Technology, Fritz-Haber-Weg 6, 76131, Karlsruhe, Germany. stefan.braese@kit.edu.

Publikováno v: Journal of cheminformatics [J Cheminform] 2019 Dec 11; Vol. 11 (1), pp. 77. Date of Electronic Publication: 2019 Dec 11.