ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities
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DOI: 10.1021/acs.jcim.1c00451
Abstract: Computational methods such as machine learning approaches have a strong track record of success in predicting the outcomes of in vitro assays. In contrast, their ability to predict in vivo endpoints is more limited due… read more here.
Keywords: vivo endpoints; bioactivity; conformal prediction; vivo toxicity ... See more keywords