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QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES.
Andrey A. Toropov
Karel Nesmerak Jr.
Ivan Raska Jr.
Karel Waisser
Karel Palat
Published in:
Comput. Biol. Chem. (2006)
Keyphrases
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optimal strategy
dynamic programming
feature vectors
worst case
optimal control
feature descriptors
optimal design