Jeliazkova, Nina; Kochev, Nikolay; Jeliazkov, Vedrin;
  • Publisher: Zenodo
  • Identifiers: doi: 10.5281/zenodo.173560
  • Subject: chemical descriptors | chemical database | chemical structure standartization

<p>A command line Java application used for processing chemical files, structure standardization, import into AMBIT database and processing AMBIT database entries.  More information at </p> <p>Chemical structure st... View more
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  • Related to
    FET H2020FET HPC: HPC Core Technologies, Programming Environments and Algorithms for Extreme Parallelism and Extreme Data Applications
    FET H2020FET HPC: Exascale Compound Activity Prediction Engine
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