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Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening.
Isidro Cortés-Ciriano
Nicholas C. Firth
Andreas Bender
Oliver P. Watson
Published in:
J. Chem. Inf. Model. (2018)
Keyphrases
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initial set
case study
website
bayesian networks
multiscale
significant features
genetic algorithm
search engine
database systems
knowledge discovery
x ray
decision directed
age related macular degeneration
ligand docking