Structure activity relationship (SAR) toxicological assessments: The role of expert judgment

This report outlines and defines analog rating rules for several compound categories. While not comprehensive, the exercises demonstrate the development of rules for categories with a large spread in molecular weight and alkyl chain length and explains the advantages that we see in this approach compared to relying solely on a computational approach or an unstructured expert judgement approach. These rules may be incorporated into analog searching work flows to define boundaries for analogs “suitable” for read-across.
Source: Regulatory Toxicology and Pharmacology - Category: Toxicology Source Type: research