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Prediction of metabolic reactions based on atomic and molecular properties of small-molecule compounds.
Fangping Mu
Clifford J. Unkefer
Pat J. Unkefer
William S. Hlavacek
Published in:
Bioinform. (2011)
Keyphrases
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drug discovery
drug design
molecular structure
prediction accuracy
chemical compounds
virtual screening
neural network
structural properties
chemical reactions
prediction model
early stage
dna computing
desirable properties
data mining tools
prediction algorithm
feature selection
learning algorithm
data sets