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Reconsideration of solvent effects calculated by semiempirical quantum chemical methods.
Miroslaw Szafran
Mati Karelson
Alan R. Katritzky
Jacek Koput
Michael C. Zerner
Published in:
J. Comput. Chem. (1993)
Keyphrases
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benchmark datasets
computational cost
cross validation
optimization methods
significant improvement
computer vision
image processing
image segmentation
preprocessing