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Benchmarking ensemble docking methods in D3R Grand Challenge 4.

Jessie Low GanDhruv KumarCynthia ChenBryn C. TaylorBenjamin R. JaggerRommie E. AmaroChristopher T. Lee
Published in: J. Comput. Aided Mol. Des. (2022)
Keyphrases
  • grand challenge
  • machine learning methods
  • significant improvement
  • benchmark datasets
  • neural network
  • machine learning
  • genetic algorithm
  • preprocessing
  • cross validation