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Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures.
Bijun Zhang
Martin Vogt
Gerald M. Maggiora
Jürgen Bajorath
Published in:
J. Comput. Aided Mol. Des. (2015)
Keyphrases
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user interface
similarity measure
design decisions
real time
neural network
social networks
case study
bayesian networks
data structure
search space
object oriented
knowledge based systems
building blocks
euclidean distance
design principles
engineering design