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 BotkaDescription
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).
Files
Categories
Patents, Cheminformatics, Computational Chemistry