A KNIME Workflow to Assist the Analogue Identification for Read-Across, Applied to Aromatase Activity.

Molecules · 2023 · PMC9961311 · PMID 36838826

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a clear trendno p-value reported

Three main strategies can be followed: (1) a conservative strategy based on a worst-case, that considers the TC toxic as the most toxic SC; (2) in trend analysis, if a clear trend between the activity and the structure/property of the SCs is identified; (3) a nearest neighbor approach, meaning that only the most similar SCs are used to infer the toxicity of the TC.

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