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QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors.
Andrey A. Toropov
Alla P. Toropova
Emilio Benfenati
Alberto Manganaro
Published in:
J. Comput. Chem. (2009)
Keyphrases
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experimental data
drug discovery
optimal design
feature vectors
case study
modeling method
learning algorithm
multiscale
dynamic programming
feature descriptors
image descriptors
object retrieval