Application of Deep Learning to Predict the Persistence, Bioaccumulation, and Toxicity of Pharmaceuticals
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DOI: 10.1021/acs.jcim.4c02293
Abstract: This study investigates the application of a deep learning (DL) model, specifically a message-passing neural network (MPNN) implemented through Chemprop, to predict the persistence, bioaccumulation, and toxicity (PBT) characteristics of compounds, with a focus on… read more here.
Keywords: deep learning; application deep; persistence bioaccumulation; bioaccumulation toxicity ... See more keywords