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What is Y-Randomization in QSAR Validation about?

1. The document examines the usefulness of y-randomization as a tool for validating QSAR models obtained through descriptor selection. 2. Several variants of randomization procedures were compared, and y-randomization was found to be overoptimistic unless descriptor selection was included in the randomization process. 3. For a new MLR QSAR model to be statistically significant, its fit should be better than the average fit of best random pseudomodels obtained by selecting descriptors from random pseudode

Author

reilyshawn

Language

EN