Using Clinical Drug Representations for Improving Mortality and Length of Stay Predictions

Batuhan Bardak, Mehmet Tan
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Abstract

Drug representations have played an important role in cheminformatics. However, in the healthcare domain, drug representations have been underused relative to the rest of Electronic Health Record (EHR) data, due to the complexity of high dimensional drug representations and the lack of proper pipeline that will allow to convert clinical drugs to their representations. Time-varying vital signs, laboratory measurements, and related time-series signals are commonly used to predict clinical outcomes. In this work, we demonstrated that using clinical drug representations in addition to other clinical features has significant potential to increase the performance of mortality and length of stay (LOS) models. We evaluate the two different drug representation methods (Extended -Connectivity Fingerprint- ECFP and SMILES-Transformer embedding) on clinical outcome predictions. The results have shown that the proposed multimodal approach achieves substantial enhancement on clinical tasks over baseline models. U sing clinical drug representations as additional features improve the LOS prediction for Area Under the Receiver Operating Characteristics (AUROC) around %6 and for Area Under Precision-Recall Curve (AUPRC) by around % 5. Furthermore, for the mortality prediction task, there is an improvement of around % 2 over the time series baseline in terms of AUROC and %3.5 in terms of AUPRC. The code for the proposed method is available at https://github.com/tanlab/MIMIC-III-Clinical-Drug-Representations.
使用临床药物表示提高死亡率和住院时间预测
药物表征在化学信息学中起着重要的作用。然而,在医疗保健领域,由于高维药物表示的复杂性以及缺乏将临床药物转换为其表示的适当管道,相对于电子健康记录(EHR)数据的其余部分,药物表示尚未得到充分利用。时变生命体征、实验室测量和相关时间序列信号通常用于预测临床结果。在这项工作中,我们证明了除了其他临床特征外,使用临床药物表征具有显著的潜力,可以提高死亡率和住院时间(LOS)模型的性能。我们评估了两种不同的药物表示方法(扩展-连接指纹- ECFP和SMILES-Transformer嵌入)在临床结果预测中的作用。结果表明,所提出的多模式方法在临床任务上比基线模型有了实质性的增强。使用临床药物表征作为附加特征,可以将受试者操作特征下面积(AUROC)的LOS预测提高约%6,将精确度-召回曲线下面积(AUPRC)的LOS预测提高约% 5。此外,对于死亡率预测任务,在AUROC方面比时间序列基线提高约% 2,在AUPRC方面提高约%3.5。所建议的方法的代码可在https://github.com/tanlab/MIMIC-III-Clinical-Drug-Representations上获得。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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