Data for: Automatic generation of Markush structures from specific compounds

Name: Data for: Automatic generation of Markush structures from specific compounds
Creator: Péter Kovács
Published: 2019-04-12T23:02:42.040Z
Keywords: Patents, Cheminformatics, Computational Chemistry

Kovács, Péter; Figyelmesi, Árpád; Botka, Gábor

doi:10.17632/s9wcc3yj45.1

Data for: Automatic generation of Markush structures from specific compounds

Published: 12 April 2019| Version 1 | DOI: 10.17632/s9wcc3yj45.1

Contributors:

Péter Kovács, Árpád Figyelmesi, Gábor Botka

Description

Compressed files (ZIP) containing the input data files used for the experiments presented in the paper (in SDF and SMILES format) and the Markush structure generated from the exemplified structures of U.S. patent US20170260195A1 (in SDF and MRV format).

Data for: Automatic generation of Markush structures from specific compounds

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