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Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise.
David Ryan Koes
Matthew P. Baumgartner
Carlos J. Camacho
Published in:
J. Chem. Inf. Model. (2013)
Keyphrases
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lessons learned
future directions
case study
participatory design
machine learning
databases
information theoretic
data mining
theoretical analysis
scoring model
database
grounded theory
artificial neural networks
expert systems
data structure
multi agent
decision trees
information systems
neural network