Chemical representation learning for toxicity prediction
نویسندگان
چکیده
A chemical language model for molecular property prediction: it outperforms prior art, is validated on a large, proprietary toxicity dataset, reveals cytotoxic motifs through attention & uses two uncertainty techniques to improve reliability.
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ژورنال
عنوان ژورنال: Digital discovery
سال: 2023
ISSN: ['2635-098X']
DOI: https://doi.org/10.1039/d2dd00099g