可解释性
计算机科学
药物基因组学
机器学习
药品
精密医学
药物反应
错义突变
人工智能
个性化医疗
稳健性(进化)
计算生物学
生物信息学
医学
生物
突变
药理学
遗传学
基因
作者
Zhe Liu,Yihang Bao,Weidi Wang,Liangwei Pan,Han Wang,Guan Ning Lin
标识
DOI:10.1016/j.compbiomed.2023.107678
摘要
Precision medicine based on personalized genomics provides promising strategies to enhance the efficacy of molecular-targeted therapies. However, the clinical effectiveness of drugs has been severely limited due to genetic variations that lead to drug resistance. Predicting the impact of missense mutations on clinical drug response is an essential way to reduce the cost of clinical trials and understand genetic diseases. Here, we present Emden, a novel method integrating graph and transformer representations that predicts the effect of missense mutations on drug response through binary classification with interpretability. Emden utilized protein sequences-based features and drug structures as inputs for rapid prediction, employing competitive representation learning and demonstrating strong generalization capabilities and robustness. Our study showed promising potential for clinical drug guidance and deep insight into computer-assisted precision medicine. Emden is freely available as a web server at https://www.psymukb.net/Emden.
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