Complex versus simple models: ion-channel cardiac toxicity prediction

PeerJ

article

Hitesh B. Mistry¹ 

[1] Division of Pharmacy, University of Manchester

关键词: Cardiac safety simulator;    CiPA;    Ion-channels;    Cardiac toxicity;    Mathematical models;    Pharmacology;   

DOI  :  10.7717/peerj.4352

学科分类：社会科学、人文和艺术（综合）

来源: Inra

【 摘 要 】

There is growing interest in applying detailed mathematical models of the heart for ion-channel related cardiac toxicity prediction. However, a debate as to whether such complex models are required exists. Here an assessment in the predictive performance between two established large-scale biophysical cardiac models and a simple linear model Bnet was conducted. Three ion-channel data-sets were extracted from literature. Each compound was designated a cardiac risk category using two different classification schemes based on information within CredibleMeds. The predictive performance of each model within each data-set for each classification scheme was assessed via a leave-one-out cross validation. Overall the Bnet model performed equally as well as the leading cardiac models in two of the data-sets and outperformed both cardiac models on the latest. These results highlight the importance of benchmarking complex versus simple models but also encourage the development of simple models.

【 授权许可】

CC BY