保护你的皮肤:一个高度准确的LSTM网络集成联合特征,用于预测化学诱导的皮肤刺激

Huynh Anh Duy1, Tarapong Srisongkram2

  • 1Graduate School in the Program of Research and Development in Pharmaceuticals, Faculty of Pharmaceutical Sciences, Khon Kaen University, Khon Kaen, 40002, Thailand.

PubMed
概括

本研究介绍了使用循环神经网络 (RNN) 预测化学皮肤刺激的定量结构-活性关系 (QSAR) 模型. 最好的模型,将LSTM与分子特征相结合,实现了80%的准确性,帮助更安全的化学设计.

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