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Predicting Biotransformation Potential from Molecular Structure.
Yulia V. Borodina
A. Sadym
Dmitrii Filimonov
V. Blinova
Alexander V. Dmitriev
Vladimir Poroikov
Published in:
J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
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molecular structure
neural network
metadata
digital libraries
preprocessing
machine learning
genetic algorithm
search engine
image segmentation
data structure
pairwise