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Ligand binding: evaluating the contribution of the water molecules network using the Fragment Molecular Orbital method.
Iva Lukac
Paul G. Wyatt
Ian H. Gilbert
Fabio Zuccotto
Published in:
J. Comput. Aided Mol. Des. (2021)
Keyphrases
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experimental evaluation
high precision
three dimensional
support vector machine
network model
neural network
objective function
preprocessing
probabilistic model
edge detection
support vector machine svm
clustering method