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A repository of public QSAR data and calculated descriptors

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topepo/qsar_data

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This project is meant to be a repository of public QSAR data sets. The idea is to:

  • have a common repository of existing data
  • when structure is available, generate a wide variety of molecular descriptors
  • make the data available in different formats
  • pre-define resampling indicies

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A repository of public QSAR data and calculated descriptors

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