Classifying Modes of Toxic Action of Molecules with Electronic-Structure Informatics. Application to Imbalanced Toxicity Data of Phenol Derivatives to Tetrahymena pyriformis
2021
A set of electronic-structure informatics (ESI) descriptors was applied to classify modes of toxic action (MoA) of 245 phenol derivatives to the growth of Tetrahymena pyriformis. The extreme gradie...
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