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

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

The reduction and replacement of in vivo tests have become crucial in terms of resources and animal benefits. The read-across approach reduces the number of substances to be tested, exploiting existing experimental data to predict the properties of untested substances. Currently, several tools have...

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Bibliographic Details
Main Authors: Ana Yisel Caballero Alfonso, Chayawan Chayawan, Domenico Gadaleta, Alessandra Roncaglioni, Emilio Benfenati
Format: Article
Language:English
Published: MDPI AG 2023-02-01
Series:Molecules
Subjects:
read-across
workflow
integrated similarity
case study
human aromatase
Online Access:https://www.mdpi.com/1420-3049/28/4/1832

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