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PockDrug: A Model for Predicting Pocket Druggability That Overcomes Pocket Estimation Uncertainties.
Alexandre Borrel
Leslie Regad
Henri Xhaard
Michel Petitjean
Anne-Claude Camproux
Published in:
J. Chem. Inf. Model. (2015)
Keyphrases
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high level
computational model
neural network
formal model
sensitivity analysis
mathematical model
parameter estimation
theoretical analysis
objective function
input data
probabilistic model
case study
process model
decision trees
experimental data
decision making
neural network model
database
monte carlo simulation