Articles with "qsar toolbox" as a keyword



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The OECD QSAR Toolbox Starts Its Second Decade.

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Published in 2018 at "Methods in molecular biology"

DOI: 10.1007/978-1-4939-7899-1_2

Abstract: The OECD QSAR Toolbox is a computer software designed to make pragmatic qualitative and quantitative structure-activity relationship methods-based predictions of toxicity, including read-across, available to the user in a comprehensible and transparent manner. The Toolbox,… read more here.

Keywords: toolbox; qsar toolbox; second decade; oecd qsar ... See more keywords
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The Good, The Bad, and The Perplexing: Structural Alerts and Read-Across for Predicting Skin Sensitization Using Human Data

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Published in 2023 at "Chemical Research in Toxicology"

DOI: 10.1021/acs.chemrestox.2c00383

Abstract: In our earlier work (Golden et al., 2021), we showed 70–80% accuracies for several skin sensitization computational tools using human data. Here, we expanded the data set using the NICEATM human skin sensitization database to… read more here.

Keywords: qsar toolbox; sensitization; oecd qsar; skin sensitization ... See more keywords