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).

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Categories

Patents, Cheminformatics, Computational Chemistry

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