ArticleInternational journal of molecular sciences2022
Toward Quantitative Models in Safety Assessment: A Case Study to Show Impact of Dose-Response Inference on hERG Inhibition Models.
Article in International journal of molecular sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed, 7 citations in OpenAlex.
- A multiparametric in vitro strategy for small molecule drug-induced liver injury risk mitigation in early drug development.Toxicological sciences : an official journal of the Society of Toxicology · 2026Article
- G-Computational and structural biotechnology journal · 2024Article
- Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives.Molecules (Basel, Switzerland) · 2023Article
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3 authors.
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Abstract
Due to challenges with historical data and the diversity of assay formats, in silico models for safety-related endpoints are often based on discretized data instead of the data on a natural continuous scale. Models for discretized endpoints have limitations in usage and interpretation that can impact compound design. Here, we present a consistent data inference approach, exemplified on two data sets of Ether-à-go-go-Related Gene (hERG) K+ inhibition data, for dose-response and screening experiments that are generally applicable for in vitro assays. hERG inhibition has been associated with severe cardiac effects and is one of the more prominent safety targets assessed in drug development, using a wide array of in vitro and in silico screening methods. In this study, the IC
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