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Benchmarking ensemble docking methods in D3R Grand Challenge 4.
Jessie Low Gan
Dhruv Kumar
Cynthia Chen
Bryn C. Taylor
Benjamin R. Jagger
Rommie E. Amaro
Christopher T. Lee
Published in:
J. Comput. Aided Mol. Des. (2022)
Keyphrases
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grand challenge
machine learning methods
significant improvement
benchmark datasets
neural network
machine learning
genetic algorithm
preprocessing
cross validation