PLoS Comput Biol. 2024 Aug 5;20(8):e1012260. doi: 10.1371/journal.pcbi.1012260. eCollection 2024 Aug.
There remains a clinical need for better approaches to rapid drug susceptibility testing in view of the increasing burden of multidrug resistant tuberculosis. Binary susceptibility phenotypes only capture changes in minimum inhibitory concentration when these cross the critical concentration, even though other changes may be clinically relevant. We developed a machine learning system to predict minimum inhibitory concentration from unassembled whole-genome sequencing data for 13 anti-tuberculosis drugs. We trained, validated and tested the system on 10,859 isolates from the CRyPTIC dataset. Essential agreement rates (predicted MIC within one doubling dilution of observed MIC) were above 92% for first-line drugs, 91% for fluoroquinolones and aminoglycosides, and 90% for new and repurposed drugs, albeit with a significant drop in performance for the very few phenotypically resistant isolates in the latter group. To further validate the model in the absence of external MIC datasets, we predicted MIC and converted values to binary for an external set of 15,239 isolates with binary phenotypes, and compare their performance against a previously validated mutation catalogue, the expected performance of existing molecular assays, and World Health Organization Target Product Profiles. The sensitivity of the model on the external dataset was greater than 90% for all drugs except ethionamide, clofazimine and linezolid. Specificity was greater than 95% for all drugs except ethambutol, ethionamide, bedaquiline, delamanid and clofazimine. The proposed system can provide quantitative susceptibility phenotyping to help guide antimicrobial therapy, although further data collection and validation are required before machine learning can be used clinically for all drugs.
鉴于耐多药结核病负担不断增加,仍然需要更好的快速药敏检测方法。二元药敏表型仅在最低抑菌浓度(MIC)超过临界浓度时才会捕捉到变化,尽管其他变化可能与临床相关。我们开发了一种机器学习系统,可根据未组装的全基因组测序数据预测 13 种抗结核药物的 MIC。我们在 CRyPTIC 数据集的 10859 个分离株上进行了训练、验证和测试。对于一线药物,预测 MIC 与观察 MIC 相差一个二倍稀释度的基本符合率(essential agreement rate)高于 92%,对于氟喹诺酮类和氨基糖苷类药物为 91%,对于新开发和重新定位的药物为 90%,尽管对于后一组中极少数表型耐药的分离株,性能有显著下降。为了在没有外部 MIC 数据集的情况下进一步验证模型,我们预测了 MIC 值,并将其转换为二进制值,用于一组 15239 个具有二进制表型的外部分离株,并将其性能与之前验证的突变目录、现有分子检测的预期性能以及世界卫生组织目标产品特性进行了比较。除乙硫异烟胺、氯法齐明和利奈唑胺外,该模型在外部数据集上的敏感性对于所有药物均大于 90%。除乙胺丁醇、乙硫异烟胺、贝达喹啉、德拉马尼和氯法齐明外,对于所有药物的特异性均大于 95%。该系统可以提供定量药敏表型,有助于指导抗菌治疗,尽管在机器学习可用于所有药物的临床应用之前,还需要进一步的数据收集和验证。