Practical Cheminformatics
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Contents

  • ChEMBL
  • dask
  • imbalanced
  • interpretability
  • jupyter
  • ML
  • multiclass
  • parallel
  • PubChem

ChEMBL

Automatic Analog Generation With Common R-group Replacements • Jul 5, 2021

dask

Fast Parallel Cheminformatics Workflows With Dask • Mar 28, 2021

imbalanced

Building a multiclass classification model • Aug 28, 2021

interpretability

Assessing Interpretable Models • Jun 3, 2021

jupyter

Building a multiclass classification model • Aug 28, 2021

Automatic Analog Generation With Common R-group Replacements • Jul 5, 2021

Assessing Interpretable Models • Jun 3, 2021

Fast Parallel Cheminformatics Workflows With Dask • Mar 28, 2021

ML

Assessing Interpretable Models • Jun 3, 2021

multiclass

Building a multiclass classification model • Aug 28, 2021

parallel

Fast Parallel Cheminformatics Workflows With Dask • Mar 28, 2021

PubChem

Building a multiclass classification model • Aug 28, 2021

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Hopefully useful tips, with code