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Furthermore, 3D-QSAR model (training set: q2 = 0.850, r2 = 0.987, test set: r2 = 0.811) was built to provide a comprehensive guide for further structural modification and optimization.
A test set was created containing 10% of the molecules from the percent inhibition model training set and 10% of the molecules from the IC50 model training set.
The test set consisted of 10% of the molecules from the percent inhibition cytotoxicity model training set and the IC50 cytotoxicity model training set.
The source-independent model training set contains 12 images that were taken from the USC-SIPI free image database [32].
Machine learning scoring functions consist of four main building blocks: descriptors, model, training set and test set.
However, usually less attention is drawn to the proper representation of chemical identities themselves before entering the model training set.
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They played with a model train set.
There's even a Metro-North model train set.
Mr. Mangano, 53, had planned to install his model train set in the basement.
It is spread out across a large table, like a model train set.
Chicago's "L", the elevated railroad that rattles like some gigantic model train set around the heart of the windy city.
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