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Benchmark Data Set for in Silico Prediction of Ames Mutagenicity

✍ Scribed by Hansen, Katja; Mika, Sebastian; Schroeter, Timon; Sutter, Andreas; ter Laak, Antonius; Steger-Hartmann, Thomas; Heinrich, Nikolaus; Müller, Klaus-Robert


Book ID
118050210
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
137 KB
Volume
49
Category
Article
ISSN
0095-2338

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The estimation of accuracy and applicability of QSAR and QSPR models for biological and physicochemical properties represents a critical problem. The developed parameter of "distance to model" (DM) is defined as a metric of similarity between the training and test set compounds that have been subjec